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

C24H29FN6O3 — CID 70269555

IUPACN-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3nnn(CC4CCC(CO)CC4)n3)cc(C)n2)ccc1F
InChIInChI=1S/C24H29FN6O3/c1-15-9-19(23-28-30-31(29-23)13-16-3-5-17(14-32)6-4-16)11-21(27-15)24(33)26-12-18-7-8-20(25)22(10-18)34-2/h7-11,16-17,32H,3-6,12-14H2,1-2H3,(H,26,33)
InChIKeyZQWKCFWNFBEHOO-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.92
Rot. Bonds8

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

N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 70269555) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID70269555
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3nnn(CC4CCC(CO)CC4)n3)cc(C)n2)ccc1F
InChIInChI=1S/C24H29FN6O3/c1-15-9-19(23-28-30-31(29-23)13-16-3-5-17(14-32)6-4-16)11-21(27-15)24(33)26-12-18-7-8-20(25)22(10-18)34-2/h7-11,16-17,32H,3-6,12-14H2,1-2H3,(H,26,33)
InChIKeyZQWKCFWNFBEHOO-UHFFFAOYSA-N
XLogP2.92
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 25183622
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
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2R,5S)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 25183623
4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225455
4-((5-(2-(3,4-difluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225474
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
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 68793626
N-[(4-fluorophenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide
CID 68794188

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide (CID 70269555) is N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc(CNC(=O)c2cc(-c3nnn(CC4CCC(CO)CC4)n3)cc(C)n2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is ZQWKCFWNFBEHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-15-9-19(23-28-30-31(29-23)13-16-3-5-17(14-32)6-4-16)11-21(27-15)24(33)26-12-18-7-8-20(25)22(10-18)34-2/h7-11,16-17,32H,3-6,12-14H2,1-2H3,(H,26,33).
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[[4-(hydroxymethyl)cyclohexyl]methyl]tetrazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 70269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).