N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H13N7O2 — CID 134044102

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1-n1cnnn1
InChIInChI=1S/C17H13N7O2/c1-11-8-12(5-6-14(11)24-10-19-21-22-24)20-16(25)13-9-18-15-4-2-3-7-23(15)17(13)26/h2-10H,1H3,(H,20,25)
InChIKeyLPXWTSBAFVROOM-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.23
Rot. Bonds3

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 134044102) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID134044102
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1-n1cnnn1
InChIInChI=1S/C17H13N7O2/c1-11-8-12(5-6-14(11)24-10-19-21-22-24)20-16(25)13-9-18-15-4-2-3-7-23(15)17(13)26/h2-10H,1H3,(H,20,25)
InChIKeyLPXWTSBAFVROOM-UHFFFAOYSA-N
XLogP1.23
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51098182
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
CID 51329815
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 134044071

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 134044102) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LPXWTSBAFVROOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2/c1-11-8-12(5-6-14(11)24-10-19-21-22-24)20-16(25)13-9-18-15-4-2-3-7-23(15)17(13)26/h2-10H,1H3,(H,20,25).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134044102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).