N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide

C20H16N6O2 — CID 36722972

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2Oc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C20H16N6O2/c1-14-12-15(9-10-18(14)26-13-22-24-25-26)23-19(27)17-8-5-11-21-20(17)28-16-6-3-2-4-7-16/h2-13H,1H3,(H,23,27)
InChIKeyUBGPFPSQXBAFEN-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.41
Rot. Bonds5

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide (PubChem CID 36722972) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
PubChem CID36722972
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2Oc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C20H16N6O2/c1-14-12-15(9-10-18(14)26-13-22-24-25-26)23-19(27)17-8-5-11-21-20(17)28-16-6-3-2-4-7-16/h2-13H,1H3,(H,23,27)
InChIKeyUBGPFPSQXBAFEN-UHFFFAOYSA-N
XLogP3.41
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134044102
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide (CID 36722972) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2Oc2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is UBGPFPSQXBAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-14-12-15(9-10-18(14)26-13-22-24-25-26)23-19(27)17-8-5-11-21-20(17)28-16-6-3-2-4-7-16/h2-13H,1H3,(H,23,27).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 36722972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).