3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline

C140H199F3N26O10 — CID 159458389

About 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline

3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline (PubChem CID 159458389) has the molecular formula C140H199F3N26O10 and a molecular weight of 2463.30 g/mol. Its IUPAC name is 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline.

Molecular Properties

• Compound Name: 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline
• PubChem CID: 159458389
• Molecular Formula: C140H199F3N26O10
• Molecular Weight: 2463.30 g/mol
• Exact Mass: 2461.58
• IUPAC Name: 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline
• SMILES: CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cc(F)cc(F)c1F.CC(C)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1
• InChI: InChI=1S/C19H23N3O2.4C17H25N3O.2C15H22N4O.C14H22N2O2.C9H10F3N/c1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;3*1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;1-5(2)13-8-4-6(10)3-7(11)9(8)12/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3*3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;3-5,13H,1-2H3/t;2*16-;;;2*13-;;/m.10..10../s1
• InChIKey: LUGTUIFIXFAGEJ-PYOPXQHKSA-N
• XLogP: 22.22
• TPSA: 439.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2463.30
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline?

The IUPAC name of 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline (CID 159458389) is 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline.

What is the SMILES notation for 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline?

The canonical SMILES for 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline is CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.CC(C)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cc(F)cc(F)c1F.CC(C)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccnc1OC1CCC(O)CC1.

What is the InChIKey of 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline?

The InChIKey is LUGTUIFIXFAGEJ-PYOPXQHKSA-N. The full InChI is InChI=1S/C19H23N3O2.4C17H25N3O.2C15H22N4O.C14H22N2O2.C9H10F3N/c1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;3*1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;1-5(2)13-8-4-6(10)3-7(11)9(8)12/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3*3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;3-5,13H,1-2H3/t;2*16-;;;2*13-;;/m.10..10../s1.

What are the key properties of 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline?

3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline has a molecular weight of 2463.30 g/mol, XLogP of 22.22, 40 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;2,3,5-trifluoro-N-propan-2-ylaniline is sourced from PubChem (CID 159458389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).