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

C24H27N7O2 — CID 70265758

IUPAC4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCC(C#N)CC4)n3)cc(C)n2)c1
InChIInChI=1S/C24H27N7O2/c1-16-10-20(23-28-30-31(29-23)15-18-8-6-17(13-25)7-9-18)12-22(27-16)24(32)26-14-19-4-3-5-21(11-19)33-2/h3-5,10-12,17-18H,6-9,14-15H2,1-2H3,(H,26,32)
InChIKeyLFKYVQHEASPSLK-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.31
Rot. Bonds7

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

4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 70265758) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID70265758
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCC(C#N)CC4)n3)cc(C)n2)c1
InChIInChI=1S/C24H27N7O2/c1-16-10-20(23-28-30-31(29-23)15-18-8-6-17(13-25)7-9-18)12-22(27-16)24(32)26-14-19-4-3-5-21(11-19)33-2/h3-5,10-12,17-18H,6-9,14-15H2,1-2H3,(H,26,32)
InChIKeyLFKYVQHEASPSLK-UHFFFAOYSA-N
XLogP3.31
TPSA118.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

trans-4-((5-(2-(4-fluoro-3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 25181615
trans-4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225509
4-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70267879
4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225476
trans-4-((5-(2-(3-hydroxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225508
4-[2-[(1-acetylpiperidin-4-yl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68724898
4-[2-[(4-carbamoylcyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68795150
4-[2-[(4-acetamidocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68799256
4-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70266605
N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide
CID 70266607
4-[2-[(4-hydroxycyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70267887
4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268171

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 70265758) is 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3nnn(CC4CCC(C#N)CC4)n3)cc(C)n2)c1.
What is the InChIKey of 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is LFKYVQHEASPSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-16-10-20(23-28-30-31(29-23)15-18-8-6-17(13-25)7-9-18)12-22(27-16)24(32)26-14-19-4-3-5-21(11-19)33-2/h3-5,10-12,17-18H,6-9,14-15H2,1-2H3,(H,26,32).
What are the key properties of 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 70265758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).