N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17ClN4O2 — CID 60558088

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3cccc(Cl)c3N(C)C)cnc2c1
InChIInChI=1S/C18H17ClN4O2/c1-11-7-8-23-15(9-11)20-10-12(18(23)25)17(24)21-14-6-4-5-13(19)16(14)22(2)3/h4-10H,1-3H3,(H,21,24)
InChIKeyTWLCFZPGMQFRMW-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.97
Rot. Bonds3

About N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60558088) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60558088
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3cccc(Cl)c3N(C)C)cnc2c1
InChIInChI=1S/C18H17ClN4O2/c1-11-7-8-23-15(9-11)20-10-12(18(23)25)17(24)21-14-6-4-5-13(19)16(14)22(2)3/h4-10H,1-3H3,(H,21,24)
InChIKeyTWLCFZPGMQFRMW-UHFFFAOYSA-N
XLogP2.97
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 60615646
8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 60548231
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60553080
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151352
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151354
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 60558088) is N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)Nc3cccc(Cl)c3N(C)C)cnc2c1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TWLCFZPGMQFRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-7-8-23-15(9-11)20-10-12(18(23)25)17(24)21-14-6-4-5-13(19)16(14)22(2)3/h4-10H,1-3H3,(H,21,24).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60558088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).