N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide

C21H17N7O3 — CID 118716804

IUPACN-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H17N7O3/c1-31-17-11-13(19-25-27-28-26-19)10-14(12-17)20(29)23-15-5-7-16(8-6-15)24-21(30)18-4-2-3-9-22-18/h2-12H,1H3,(H,23,29)(H,24,30)(H,25,26,27,28)
InChIKeyGFMDSWJKNYRPAP-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.77
Rot. Bonds6

About N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide

N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 118716804) has the molecular formula C21H17N7O3 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID118716804
Molecular FormulaC21H17N7O3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC NameN-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H17N7O3/c1-31-17-11-13(19-25-27-28-26-19)10-14(12-17)20(29)23-15-5-7-16(8-6-15)24-21(30)18-4-2-3-9-22-18/h2-12H,1H3,(H,23,29)(H,24,30)(H,25,26,27,28)
InChIKeyGFMDSWJKNYRPAP-UHFFFAOYSA-N
XLogP2.77
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225476
N-[(3-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 11567821
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-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70265758
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
N-[(3-methoxyphenyl)methyl]-6-methyl-4-[2-(oxan-3-ylmethyl)tetrazol-5-yl]pyridine-2-carboxamide
CID 70269104
4-((5-(2-(4-methoxybenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225438
4-((5-(2-(3-methoxybenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225439

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide (CID 118716804) is N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is GFMDSWJKNYRPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O3/c1-31-17-11-13(19-25-27-28-26-19)10-14(12-17)20(29)23-15-5-7-16(8-6-15)24-21(30)18-4-2-3-9-22-18/h2-12H,1H3,(H,23,29)(H,24,30)(H,25,26,27,28).
What are the key properties of N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methoxy-5-(2H-tetrazol-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118716804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).