N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C21H30N6O — CID 138016125

About N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 138016125) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 138016125
• Molecular Formula: C21H30N6O
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.25
• IUPAC Name: N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2ccc(C(=O)NC[C@@H]3CNC[C@H]3c3cncn3C)cn2)CC1
• InChI: InChI=1S/C21H30N6O/c1-15-5-7-27(8-6-15)20-4-3-16(10-24-20)21(28)25-11-17-9-22-12-18(17)19-13-23-14-26(19)2/h3-4,10,13-15,17-18,22H,5-9,11-12H2,1-2H3,(H,25,28)/t17-,18+/m0/s1
• InChIKey: UWQSZBXPCPPDPO-ZWKOTPCHSA-N
• XLogP: 1.78
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 138016125) is N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)NC[C@@H]3CNC[C@H]3c3cncn3C)cn2)CC1.

What is the InChIKey of N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

The InChIKey is UWQSZBXPCPPDPO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15-5-7-27(8-6-15)20-4-3-16(10-24-20)21(28)25-11-17-9-22-12-18(17)19-13-23-14-26(19)2/h3-4,10,13-15,17-18,22H,5-9,11-12H2,1-2H3,(H,25,28)/t17-,18+/m0/s1.

What are the key properties of N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 138016125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).