N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide

C22H17FN4O3 — CID 53157091

IUPACN-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccccc2)ccc1F
InChIInChI=1S/C22H17FN4O3/c1-13-10-15(8-9-18(13)23)25-20(28)14-11-17-19(24-12-14)27(16-6-4-3-5-7-16)22(30)26(2)21(17)29/h3-12H,1-2H3,(H,25,28)
InChIKeyQTMVMQUGXHLSHF-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.78
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide

N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53157091) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53157091
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccccc2)ccc1F
InChIInChI=1S/C22H17FN4O3/c1-13-10-15(8-9-18(13)23)25-20(28)14-11-17-19(24-12-14)27(16-6-4-3-5-7-16)22(30)26(2)21(17)29/h3-12H,1-2H3,(H,25,28)
InChIKeyQTMVMQUGXHLSHF-UHFFFAOYSA-N
XLogP2.78
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 53157091) is N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide is Cc1cc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccccc2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QTMVMQUGXHLSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-13-10-15(8-9-18(13)23)25-20(28)14-11-17-19(24-12-14)27(16-6-4-3-5-7-16)22(30)26(2)21(17)29/h3-12H,1-2H3,(H,25,28).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).