N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C17H15ClN4O3 — CID 46517821

IUPACN-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)cnc2n(C)c1=O
InChIInChI=1S/C17H15ClN4O3/c1-21-14-12(16(24)22(2)17(21)25)7-11(9-19-14)15(23)20-8-10-5-3-4-6-13(10)18/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyHVMZKZNOMOEWMP-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.22
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46517821) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46517821
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)cnc2n(C)c1=O
InChIInChI=1S/C17H15ClN4O3/c1-21-14-12(16(24)22(2)17(21)25)7-11(9-19-14)15(23)20-8-10-5-3-4-6-13(10)18/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyHVMZKZNOMOEWMP-UHFFFAOYSA-N
XLogP1.22
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46479986
1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044016
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
N-[3-(N-ethylanilino)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37316730
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424315
N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36526743
1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 30885393
N-[(2-chlorophenyl)methyl]-2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585405
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 97014371
1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552128

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 46517821) is N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)cnc2n(C)c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HVMZKZNOMOEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-21-14-12(16(24)22(2)17(21)25)7-11(9-19-14)15(23)20-8-10-5-3-4-6-13(10)18/h3-7,9H,8H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46517821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).