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

C17H14ClN5O4 — CID 36526743

IUPACN-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cnc2n(C)c1=O
InChIInChI=1S/C17H14ClN5O4/c1-22-14-11(16(26)23(2)17(22)27)5-8(7-20-14)15(25)21-9-3-4-12(18)10(6-9)13(19)24/h3-7H,1-2H3,(H2,19,24)(H,21,25)
InChIKeyXUURTIOVBFLPKG-UHFFFAOYSA-N
MW387.78 g/mol
LogP0.64
Rot. Bonds3

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

N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36526743) has the molecular formula C17H14ClN5O4 and a molecular weight of 387.78 g/mol. Its IUPAC name is N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36526743
Molecular FormulaC17H14ClN5O4
Molecular Weight387.78 g/mol
Exact Mass387.07
IUPAC NameN-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cnc2n(C)c1=O
InChIInChI=1S/C17H14ClN5O4/c1-22-14-11(16(26)23(2)17(22)27)5-8(7-20-14)15(25)21-9-3-4-12(18)10(6-9)13(19)24/h3-7H,1-2H3,(H2,19,24)(H,21,25)
InChIKeyXUURTIOVBFLPKG-UHFFFAOYSA-N
XLogP0.64
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610
1,3-dimethyl-2,4-dioxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044037
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 55456859
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067
N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580012
N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157135

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36526743) is N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cnc2n(C)c1=O.
What is the InChIKey of N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XUURTIOVBFLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O4/c1-22-14-11(16(26)23(2)17(22)27)5-8(7-20-14)15(25)21-9-3-4-12(18)10(6-9)13(19)24/h3-7H,1-2H3,(H2,19,24)(H,21,25).
What are the key properties of N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.78 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36526743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).