6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C21H35N5O — CID 98308295

About 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 98308295) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 98308295
• Molecular Formula: C21H35N5O
• Molecular Weight: 373.55 g/mol
• Exact Mass: 373.28
• IUPAC Name: 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CCC(N)CC3)nc2)C1
• InChI: InChI=1S/C21H35N5O/c1-15(2)13-26-10-9-16(14-26)11-24-21(27)17-3-8-20(23-12-17)25-19-6-4-18(22)5-7-19/h3,8,12,15-16,18-19H,4-7,9-11,13-14,22H2,1-2H3,(H,23,25)(H,24,27)/t16-,18?,19?/m0/s1
• InChIKey: QZNMFKMJBMGABS-IVMQYODDSA-N
• XLogP: 2.47
• TPSA: 83.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.55
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 98308295) is 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CCC(N)CC3)nc2)C1.

What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is QZNMFKMJBMGABS-IVMQYODDSA-N. The full InChI is InChI=1S/C21H35N5O/c1-15(2)13-26-10-9-16(14-26)11-24-21(27)17-3-8-20(23-12-17)25-19-6-4-18(22)5-7-19/h3,8,12,15-16,18-19H,4-7,9-11,13-14,22H2,1-2H3,(H,23,25)(H,24,27)/t16-,18?,19?/m0/s1.

What are the key properties of 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 98308295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).