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

C17H15ClN4O3 — CID 66498793

IUPACN-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H15ClN4O3/c1-9-12(15(23)20-11-6-4-5-10(18)7-11)8-13-14(19-9)21(2)17(25)22(3)16(13)24/h4-8H,1-3H3,(H,20,23)
InChIKeyRPKIFZSFTXOHHA-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.85
Rot. Bonds2

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

N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66498793) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66498793
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H15ClN4O3/c1-9-12(15(23)20-11-6-4-5-10(18)7-11)8-13-14(19-9)21(2)17(25)22(3)16(13)24/h4-8H,1-3H3,(H,20,23)
InChIKeyRPKIFZSFTXOHHA-UHFFFAOYSA-N
XLogP1.85
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 66498793) is N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc2c(cc1C(=O)Nc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RPKIFZSFTXOHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-9-12(15(23)20-11-6-4-5-10(18)7-11)8-13-14(19-9)21(2)17(25)22(3)16(13)24/h4-8H,1-3H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66498793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).