5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid

C37H46N10O5 — CID 165067401

About 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid

5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid (PubChem CID 165067401) has the molecular formula C37H46N10O5 and a molecular weight of 710.84 g/mol. Its IUPAC name is 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid
• PubChem CID: 165067401
• Molecular Formula: C37H46N10O5
• Molecular Weight: 710.84 g/mol
• Exact Mass: 710.37
• IUPAC Name: 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid
• SMILES: CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)c4cncc(N)c4)CC3)cc2)c(N)n1.Nc1cncc(C(=O)O)c1
• InChI: InChI=1S/C31H40N8O3.C6H6N2O2/c1-2-3-14-42-27-16-26-28(29(33)36-27)37-31(41)39(26)20-23-6-4-22(5-7-23)19-38-12-9-21(10-13-38)8-11-35-30(40)24-15-25(32)18-34-17-24;7-5-1-4(6(9)10)2-8-3-5/h4-7,15-18,21H,2-3,8-14,19-20,32H2,1H3,(H2,33,36)(H,35,40)(H,37,41);1-3H,7H2,(H,9,10)
• InChIKey: SEPVLZLFAAAHQI-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 233.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.84
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid?

The IUPAC name of 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid (CID 165067401) is 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid.

What is the SMILES notation for 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid?

The canonical SMILES for 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid is CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)c4cncc(N)c4)CC3)cc2)c(N)n1.Nc1cncc(C(=O)O)c1.

What is the InChIKey of 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid?

The InChIKey is SEPVLZLFAAAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N8O3.C6H6N2O2/c1-2-3-14-42-27-16-26-28(29(33)36-27)37-31(41)39(26)20-23-6-4-22(5-7-23)19-38-12-9-21(10-13-38)8-11-35-30(40)24-15-25(32)18-34-17-24;7-5-1-4(6(9)10)2-8-3-5/h4-7,15-18,21H,2-3,8-14,19-20,32H2,1H3,(H2,33,36)(H,35,40)(H,37,41);1-3H,7H2,(H,9,10).

What are the key properties of 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid?

5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid has a molecular weight of 710.84 g/mol, XLogP of 3.91, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[1-[[4-[(4-amino-6-butoxy-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]ethyl]pyridine-3-carboxamide;5-aminopyridine-3-carboxylic acid is sourced from PubChem (CID 165067401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).