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

C17H15ClN4O3 — CID 136530628

IUPACN-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)ccc1Cl
InChIInChI=1S/C17H15ClN4O3/c1-9-5-10(3-4-13(9)18)7-20-15(23)11-6-12-14(19-8-11)22(2)17(25)21-16(12)24/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeySRZSZFRKFBUMKP-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.51
Rot. Bonds3

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

N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 136530628) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID136530628
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)ccc1Cl
InChIInChI=1S/C17H15ClN4O3/c1-9-5-10(3-4-13(9)18)7-20-15(23)11-6-12-14(19-8-11)22(2)17(25)21-16(12)24/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeySRZSZFRKFBUMKP-UHFFFAOYSA-N
XLogP1.51
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 136530628) is N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1cc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SRZSZFRKFBUMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-9-5-10(3-4-13(9)18)7-20-15(23)11-6-12-14(19-8-11)22(2)17(25)21-16(12)24/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,24,25).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 136530628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).