N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C18H18N6O2 — CID 71453212

IUPACN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnc2ccccn2c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H18N6O2/c25-17-14(13-20-16-6-2-4-8-24(16)17)21-18(26)23-11-9-22(10-12-23)15-5-1-3-7-19-15/h1-8,13H,9-12H2,(H,21,26)
InChIKeyIAVWSJIIBOFPGE-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.44
Rot. Bonds2

About N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 71453212) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID71453212
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnc2ccccn2c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H18N6O2/c25-17-14(13-20-16-6-2-4-8-24(16)17)21-18(26)23-11-9-22(10-12-23)15-5-1-3-7-19-15/h1-8,13H,9-12H2,(H,21,26)
InChIKeyIAVWSJIIBOFPGE-UHFFFAOYSA-N
XLogP1.44
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204321
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-pyridin-2-yl-N-(1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 4236681
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884

Frequently Asked Questions

What is the IUPAC name of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 71453212) is N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1cnc2ccccn2c1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is IAVWSJIIBOFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17-14(13-20-16-6-2-4-8-24(16)17)21-18(26)23-11-9-22(10-12-23)15-5-1-3-7-19-15/h1-8,13H,9-12H2,(H,21,26).
What are the key properties of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71453212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).