4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C19H16N6O2 — CID 16614854

IUPAC4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H16N6O2/c1-13(14-5-7-15(8-6-14)25-12-20-11-22-25)23-18(26)16-10-21-17-4-2-3-9-24(17)19(16)27/h2-13H,1H3,(H,23,26)
InChIKeyQGYXIXUEACLRHQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.77
Rot. Bonds4

About 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614854) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614854
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H16N6O2/c1-13(14-5-7-15(8-6-14)25-12-20-11-22-25)23-18(26)16-10-21-17-4-2-3-9-24(17)19(16)27/h2-13H,1H3,(H,23,26)
InChIKeyQGYXIXUEACLRHQ-UHFFFAOYSA-N
XLogP1.77
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131939708
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614854) is 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QGYXIXUEACLRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-13(14-5-7-15(8-6-14)25-12-20-11-22-25)23-18(26)16-10-21-17-4-2-3-9-24(17)19(16)27/h2-13H,1H3,(H,23,26).
What are the key properties of 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).