1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide

C14H12N6O3 — CID 131903630

IUPAC1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)ccc1=O
InChIInChI=1S/C14H12N6O3/c1-20-8-9(2-7-12(20)21)13(22)15-10-3-5-11(6-4-10)23-14-16-18-19-17-14/h2-8H,1H3,(H,15,22)(H,16,17,18,19)
InChIKeyRUPMDEQALSXVEI-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.94
Rot. Bonds4

About 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide

1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide (PubChem CID 131903630) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
PubChem CID131903630
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)ccc1=O
InChIInChI=1S/C14H12N6O3/c1-20-8-9(2-7-12(20)21)13(22)15-10-3-5-11(6-4-10)23-14-16-18-19-17-14/h2-8H,1H3,(H,15,22)(H,16,17,18,19)
InChIKeyRUPMDEQALSXVEI-UHFFFAOYSA-N
XLogP0.94
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-6-oxopyridine-3-carboxamide
CID 71919533
3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131888846
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131932427
1-methyl-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 110693057
5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
CID 131934212
N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131920439
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide
CID 110693106
N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
CID 154912887
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 131895570
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998
4-(diethylamino)-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 51094945

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide (CID 131903630) is 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide?
The InChIKey is RUPMDEQALSXVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c1-20-8-9(2-7-12(20)21)13(22)15-10-3-5-11(6-4-10)23-14-16-18-19-17-14/h2-8H,1H3,(H,15,22)(H,16,17,18,19).
What are the key properties of 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131903630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).