4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C26H35N7O4 — CID 143754341

IUPAC4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C3=NNN(CC4CCC(NC(=O)CCO)CC4)N3)cc(C)n2)c1
InChIInChI=1S/C26H35N7O4/c1-17-12-20(14-23(28-17)26(36)27-15-19-4-3-5-22(13-19)37-2)25-30-32-33(31-25)16-18-6-8-21(9-7-18)29-24(35)10-11-34/h3-5,12-14,18,21,32,34H,6-11,15-16H2,1-2H3,(H,27,36)(H,29,35)(H,30,31)
InChIKeyVIXNVWCZWLZPCF-UHFFFAOYSA-N
MW509.61 g/mol
LogP1.37
Rot. Bonds10

About 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 143754341) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID143754341
Molecular FormulaC26H35N7O4
Molecular Weight509.61 g/mol
Exact Mass509.28
IUPAC Name4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C3=NNN(CC4CCC(NC(=O)CCO)CC4)N3)cc(C)n2)c1
InChIInChI=1S/C26H35N7O4/c1-17-12-20(14-23(28-17)26(36)27-15-19-4-3-5-22(13-19)37-2)25-30-32-33(31-25)16-18-6-8-21(9-7-18)29-24(35)10-11-34/h3-5,12-14,18,21,32,34H,6-11,15-16H2,1-2H3,(H,27,36)(H,29,35)(H,30,31)
InChIKeyVIXNVWCZWLZPCF-UHFFFAOYSA-N
XLogP1.37
TPSA140.21 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-[[(1R,3S)-3-(hydroxymethyl)cyclopentyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70270410
4-[2-[[4-(acetamidomethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268549
4-[2-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268532
4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68775653
3-[[5-[2-[(3-methoxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]piperidine-1-carboxylic acid
CID 68748000
4-[2-[[(2S)-5-(2-hydroxypropan-2-yl)-5-methyl-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 143754289
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
6-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109093839
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 70269386
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 143754341) is 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc(C3=NNN(CC4CCC(NC(=O)CCO)CC4)N3)cc(C)n2)c1.
What is the InChIKey of 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is VIXNVWCZWLZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-17-12-20(14-23(28-17)26(36)27-15-19-4-3-5-22(13-19)37-2)25-30-32-33(31-25)16-18-6-8-21(9-7-18)29-24(35)10-11-34/h3-5,12-14,18,21,32,34H,6-11,15-16H2,1-2H3,(H,27,36)(H,29,35)(H,30,31).
What are the key properties of 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 1.37, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(3-hydroxypropanoylamino)cyclohexyl]methyl]-1,3-dihydrotetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 143754341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).