2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide

C16H10Cl2FN3O2 — CID 18566140

IUPAC2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c1-8-14(16(24)22-7-9(17)5-6-12(22)20-8)21-15(23)13-10(18)3-2-4-11(13)19/h2-7H,1H3,(H,21,23)
InChIKeyAJMDNEPDJMVSRG-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide

2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide (PubChem CID 18566140) has the molecular formula C16H10Cl2FN3O2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide
PubChem CID18566140
Molecular FormulaC16H10Cl2FN3O2
Molecular Weight366.18 g/mol
Exact Mass365.01
IUPAC Name2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c1-8-14(16(24)22-7-9(17)5-6-12(22)20-8)21-15(23)13-10(18)3-2-4-11(13)19/h2-7H,1H3,(H,21,23)
InChIKeyAJMDNEPDJMVSRG-UHFFFAOYSA-N
XLogP3.70
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
2,4-dichloro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2369608
2,6-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030255
3,4-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030257
4-chloro-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2238613
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-(trifluoromethyl)benzamide
CID 16030259
6-(2-chloro-4-fluorobenzoyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 87052408
6-(2-chloro-5-fluorobenzoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 87052460
4-fluoro-N-(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763032
2-[[(2-Chloro-6-fluorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8365265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide (CID 18566140) is 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide is Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide?
The InChIKey is AJMDNEPDJMVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O2/c1-8-14(16(24)22-7-9(17)5-6-12(22)20-8)21-15(23)13-10(18)3-2-4-11(13)19/h2-7H,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide?
2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide has a molecular weight of 366.18 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-fluorobenzamide is sourced from PubChem (CID 18566140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).