4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C25H32N8O3 — CID 68775653

IUPAC4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CCC[C@@H](NC(=O)CN)C4)n3)cc(C)n2)c1
InChIInChI=1S/C25H32N8O3/c1-16-9-19(12-22(28-16)25(35)27-14-17-5-4-8-21(11-17)36-2)24-30-32-33(31-24)15-18-6-3-7-20(10-18)29-23(34)13-26/h4-5,8-9,11-12,18,20H,3,6-7,10,13-15,26H2,1-2H3,(H,27,35)(H,29,34)/t18-,20-/m1/s1
InChIKeyWWAWPIIWQMHACI-UYAOXDASSA-N
MW492.58 g/mol
LogP1.62
Rot. Bonds9

About 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 68775653) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID68775653
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CCC[C@@H](NC(=O)CN)C4)n3)cc(C)n2)c1
InChIInChI=1S/C25H32N8O3/c1-16-9-19(12-22(28-16)25(35)27-14-17-5-4-8-21(11-17)36-2)24-30-32-33(31-24)15-18-6-3-7-20(10-18)29-23(34)13-26/h4-5,8-9,11-12,18,20H,3,6-7,10,13-15,26H2,1-2H3,(H,27,35)(H,29,34)/t18-,20-/m1/s1
InChIKeyWWAWPIIWQMHACI-UYAOXDASSA-N
XLogP1.62
TPSA149.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 68775653) is 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CCC[C@@H](NC(=O)CN)C4)n3)cc(C)n2)c1.
What is the InChIKey of 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is WWAWPIIWQMHACI-UYAOXDASSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-16-9-19(12-22(28-16)25(35)27-14-17-5-4-8-21(11-17)36-2)24-30-32-33(31-24)15-18-6-3-7-20(10-18)29-23(34)13-26/h4-5,8-9,11-12,18,20H,3,6-7,10,13-15,26H2,1-2H3,(H,27,35)(H,29,34)/t18-,20-/m1/s1.
What are the key properties of 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 68775653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).