N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C16H13ClN4O3 — CID 35994168

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3ccccc3Cl)nc21
InChIInChI=1S/C16H13ClN4O3/c1-21-13-10(14(22)20-16(21)24)6-7-12(19-13)15(23)18-8-9-4-2-3-5-11(9)17/h2-7H,8H2,1H3,(H,18,23)(H,20,22,24)
InChIKeyZBLZCEBKEUCYOD-UHFFFAOYSA-N
MW344.76 g/mol
LogP1.21
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 35994168) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID35994168
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3ccccc3Cl)nc21
InChIInChI=1S/C16H13ClN4O3/c1-21-13-10(14(22)20-16(21)24)6-7-12(19-13)15(23)18-8-9-4-2-3-5-11(9)17/h2-7H,8H2,1H3,(H,18,23)(H,20,22,24)
InChIKeyZBLZCEBKEUCYOD-UHFFFAOYSA-N
XLogP1.21
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 166226309
7-[(2-chlorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
CID 18523857
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide
CID 46364203
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methylpurine-2,6-dione
CID 7459866
8-(4-benzoylpiperazin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 66491687
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331871

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 35994168) is N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3ccccc3Cl)nc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is ZBLZCEBKEUCYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-21-13-10(14(22)20-16(21)24)6-7-12(19-13)15(23)18-8-9-4-2-3-5-11(9)17/h2-7H,8H2,1H3,(H,18,23)(H,20,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 344.76 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 35994168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).