1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile

C75H89BrN26O4 — CID 159063412

About 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile

1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile (PubChem CID 159063412) has the molecular formula C75H89BrN26O4 and a molecular weight of 1498.62 g/mol. Its IUPAC name is 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile
• PubChem CID: 159063412
• Molecular Formula: C75H89BrN26O4
• Molecular Weight: 1498.62 g/mol
• Exact Mass: 1496.67
• IUPAC Name: 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile
• SMILES: CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCC(C#N)C2)ncc1N.CCc1cc(N2CCC(C#N)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCC(C#N)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCC(C#N)C2)ncc1[N+](=O)[O-].N#CC1CCNC1
• InChI: InChI=1S/C20H23N7.C19H21N7.C12H14N4O2.C12H16N4.C7H7BrN2O2.C5H8N2/c1-4-15-7-20(27-6-5-14(9-21)12-27)23-11-18(15)26(3)19-8-17-16(10-22-19)24-13-25(17)2;1-3-14-6-19(26-5-4-13(8-20)11-26)22-9-15(14)24-18-7-17-16(10-21-18)23-12-25(17)2;1-2-10-5-12(14-7-11(10)16(17)18)15-4-3-9(6-13)8-15;1-2-10-5-12(15-7-11(10)14)16-4-3-9(6-13)8-16;1-2-5-3-7(8)9-4-6(5)10(11)12;6-3-5-1-2-7-4-5/h7-8,10-11,13-14H,4-6,12H2,1-3H3;6-7,9-10,12-13H,3-5,11H2,1-2H3,(H,21,24);5,7,9H,2-4,8H2,1H3;5,7,9H,2-4,8,14H2,1H3;3-4H,2H2,1H3;5,7H,1-2,4H2
• InChIKey: JYTGYSDMENSSLO-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 397.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.62
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile?

The IUPAC name of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile (CID 159063412) is 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile.

What is the SMILES notation for 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile?

The canonical SMILES for 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile is CCc1cc(Br)ncc1[N+](=O)[O-].CCc1cc(N2CCC(C#N)C2)ncc1N.CCc1cc(N2CCC(C#N)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(N2CCC(C#N)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(N2CCC(C#N)C2)ncc1[N+](=O)[O-].N#CC1CCNC1.

What is the InChIKey of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile?

The InChIKey is JYTGYSDMENSSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7.C19H21N7.C12H14N4O2.C12H16N4.C7H7BrN2O2.C5H8N2/c1-4-15-7-20(27-6-5-14(9-21)12-27)23-11-18(15)26(3)19-8-17-16(10-22-19)24-13-25(17)2;1-3-14-6-19(26-5-4-13(8-20)11-26)22-9-15(14)24-18-7-17-16(10-21-18)23-12-25(17)2;1-2-10-5-12(14-7-11(10)16(17)18)15-4-3-9(6-13)8-15;1-2-10-5-12(15-7-11(10)14)16-4-3-9(6-13)8-16;1-2-5-3-7(8)9-4-6(5)10(11)12;6-3-5-1-2-7-4-5/h7-8,10-11,13-14H,4-6,12H2,1-3H3;6-7,9-10,12-13H,3-5,11H2,1-2H3,(H,21,24);5,7,9H,2-4,8H2,1H3;5,7,9H,2-4,8,14H2,1H3;3-4H,2H2,1H3;5,7H,1-2,4H2.

What are the key properties of 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile?

1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile has a molecular weight of 1498.62 g/mol, XLogP of 11.98, 15 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-4-ethyl-2-pyridinyl)pyrrolidine-3-carbonitrile;2-bromo-4-ethyl-5-nitropyridine;1-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]pyrrolidine-3-carbonitrile;1-(4-ethyl-5-nitro-2-pyridinyl)pyrrolidine-3-carbonitrile;pyrrolidine-3-carbonitrile is sourced from PubChem (CID 159063412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).