N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C18H17ClN4O3 — CID 56738113

IUPACN-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2C)cc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-9-5-6-11(7-14(9)19)21-16(24)12-8-13-15(20-10(12)2)22(3)18(26)23(4)17(13)25/h5-8H,1-4H3,(H,21,24)
InChIKeyJPAKNXINSDMHOG-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.15
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56738113) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID56738113
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2C)cc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-9-5-6-11(7-14(9)19)21-16(24)12-8-13-15(20-10(12)2)22(3)18(26)23(4)17(13)25/h5-8H,1-4H3,(H,21,24)
InChIKeyJPAKNXINSDMHOG-UHFFFAOYSA-N
XLogP2.15
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 56738113) is N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JPAKNXINSDMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-9-5-6-11(7-14(9)19)21-16(24)12-8-13-15(20-10(12)2)22(3)18(26)23(4)17(13)25/h5-8H,1-4H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56738113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).