2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride

C125H129Cl11F3N15O11 — CID 158714612

About 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride

2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride (PubChem CID 158714612) has the molecular formula C125H129Cl11F3N15O11 and a molecular weight of 2464.48 g/mol. Its IUPAC name is 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride
• PubChem CID: 158714612
• Molecular Formula: C125H129Cl11F3N15O11
• Molecular Weight: 2464.48 g/mol
• Exact Mass: 2457.65
• IUPAC Name: 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride
• SMILES: C=C(C)c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(Cl)n1.CC(C)(N)c1cc(Cl)nc(Cl)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CC(O)(CN)c1cc(C(C)(C)NCC(=O)c2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.CCC(C)(O)c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.Cl.N#Cc1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C26H28ClFN2O3.C25H27ClFN3O2.C25H24ClFN2O2.C19H21ClN2O2.C16H16Cl2N2O2.C8H10Cl2N2.C6H2Cl2N2.ClH/c1-5-26(4,32)23-15-19(14-22(29-23)18-11-12-21(28)20(27)13-18)25(2,3)30-24(31)33-16-17-9-7-6-8-10-17;1-24(2,29-14-22(31)16-7-5-4-6-8-16)18-12-21(17-9-10-20(27)19(26)11-17)30-23(13-18)25(3,32)15-28;1-16(2)22-13-19(14-23(28-22)18-10-11-21(27)20(26)12-18)25(3,4)29-24(30)31-15-17-8-6-5-7-9-17;1-13(2)16-10-15(11-17(20)21-16)19(3,4)22-18(23)24-12-14-8-6-5-7-9-14;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;1-8(2,11)5-3-6(9)12-7(10)4-5;7-5-1-4(3-9)2-6(8)10-5;/h6-15,32H,5,16H2,1-4H3,(H,30,31);4-13,29,32H,14-15,28H2,1-3H3;5-14H,1,15H2,2-4H3,(H,29,30);5-11H,1,12H2,2-4H3,(H,22,23);3-9H,10H2,1-2H3,(H,20,21);3-4H,11H2,1-2H3;1-2H;1H
• InChIKey: QNDPTEQKWPHMSI-UHFFFAOYSA-N
• XLogP: 32.21
• TPSA: 388.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2464.48
LogP ≤ 5	32.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride?

The IUPAC name of 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride (CID 158714612) is 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride.

What is the SMILES notation for 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride?

The canonical SMILES for 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride is C=C(C)c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(Cl)n1.CC(C)(N)c1cc(Cl)nc(Cl)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CC(O)(CN)c1cc(C(C)(C)NCC(=O)c2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.CCC(C)(O)c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(F)c(Cl)c2)n1.Cl.N#Cc1cc(Cl)nc(Cl)c1.

What is the InChIKey of 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride?

The InChIKey is QNDPTEQKWPHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O3.C25H27ClFN3O2.C25H24ClFN2O2.C19H21ClN2O2.C16H16Cl2N2O2.C8H10Cl2N2.C6H2Cl2N2.ClH/c1-5-26(4,32)23-15-19(14-22(29-23)18-11-12-21(28)20(27)13-18)25(2,3)30-24(31)33-16-17-9-7-6-8-10-17;1-24(2,29-14-22(31)16-7-5-4-6-8-16)18-12-21(17-9-10-20(27)19(26)11-17)30-23(13-18)25(3,32)15-28;1-16(2)22-13-19(14-23(28-22)18-10-11-21(27)20(26)12-18)25(3,4)29-24(30)31-15-17-8-6-5-7-9-17;1-13(2)16-10-15(11-17(20)21-16)19(3,4)22-18(23)24-12-14-8-6-5-7-9-14;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;1-8(2,11)5-3-6(9)12-7(10)4-5;7-5-1-4(3-9)2-6(8)10-5;/h6-15,32H,5,16H2,1-4H3,(H,30,31);4-13,29,32H,14-15,28H2,1-3H3;5-14H,1,15H2,2-4H3,(H,29,30);5-11H,1,12H2,2-4H3,(H,22,23);3-9H,10H2,1-2H3,(H,20,21);3-4H,11H2,1-2H3;1-2H;1H.

What are the key properties of 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride?

2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride has a molecular weight of 2464.48 g/mol, XLogP of 32.21, 31 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile;2-(2,6-dichloro-4-pyridinyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 158714612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).