3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide

C20H17ClN4O2 — CID 67266038

IUPAC3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide
SMILESO=C(NC1CCCn2c1nc(-c1ccncc1)cc2=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2/c21-15-4-1-3-14(11-15)20(27)24-16-5-2-10-25-18(26)12-17(23-19(16)25)13-6-8-22-9-7-13/h1,3-4,6-9,11-12,16H,2,5,10H2,(H,24,27)
InChIKeyMJYJRQCDHSTHPJ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide

3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide (PubChem CID 67266038) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide
PubChem CID67266038
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide
SMILESO=C(NC1CCCn2c1nc(-c1ccncc1)cc2=O)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2/c21-15-4-1-3-14(11-15)20(27)24-16-5-2-10-25-18(26)12-17(23-19(16)25)13-6-8-22-9-7-13/h1,3-4,6-9,11-12,16H,2,5,10H2,(H,24,27)
InChIKeyMJYJRQCDHSTHPJ-UHFFFAOYSA-N
XLogP3.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 16730391
N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 24989770
5-bromo-2-methoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide
CID 16730171
4-fluoro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide
CID 16730172
2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide
CID 69022598
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051267
5-bromo-2-methylsulfanyl-N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)pyrimidine-4-carboxamide
CID 91177490

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide?
The IUPAC name of 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide (CID 67266038) is 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide is O=C(NC1CCCn2c1nc(-c1ccncc1)cc2=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide?
The InChIKey is MJYJRQCDHSTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-4-1-3-14(11-15)20(27)24-16-5-2-10-25-18(26)12-17(23-19(16)25)13-6-8-22-9-7-13/h1,3-4,6-9,11-12,16H,2,5,10H2,(H,24,27).
What are the key properties of 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide?
3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide has a molecular weight of 380.84 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide is sourced from PubChem (CID 67266038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).