4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C23H28N6O2 — CID 127027350

IUPAC4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCCCC4)n3)cc(C)n2)c1
InChIInChI=1S/C23H28N6O2/c1-16-11-19(22-26-28-29(27-22)15-17-7-4-3-5-8-17)13-21(25-16)23(30)24-14-18-9-6-10-20(12-18)31-2/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
InChIKeyHZGLRLXBLRMWLR-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.56
Rot. Bonds7

About 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 127027350) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID127027350
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCCCC4)n3)cc(C)n2)c1
InChIInChI=1S/C23H28N6O2/c1-16-11-19(22-26-28-29(27-22)15-17-7-4-3-5-8-17)13-21(25-16)23(30)24-14-18-9-6-10-20(12-18)31-2/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
InChIKeyHZGLRLXBLRMWLR-UHFFFAOYSA-N
XLogP3.56
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 127027350) is 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCCCC4)n3)cc(C)n2)c1.
What is the InChIKey of 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is HZGLRLXBLRMWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-11-19(22-26-28-29(27-22)15-17-7-4-3-5-8-17)13-21(25-16)23(30)24-14-18-9-6-10-20(12-18)31-2/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30).
What are the key properties of 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethyl)tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 127027350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).