2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C22H19N5O3 — CID 48500610

IUPAC2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)cc1)c1ccccc1
InChIInChI=1S/C22H19N5O3/c1-13(14-5-3-2-4-6-14)24-16-7-9-17(10-8-16)25-20(28)15-11-18-19(23-12-15)26-22(30)27-21(18)29/h2-13,24H,1H3,(H,25,28)(H2,23,26,27,29,30)
InChIKeyPAMQHQWGTLNVNO-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.04
Rot. Bonds5

About 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 48500610) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID48500610
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)cc1)c1ccccc1
InChIInChI=1S/C22H19N5O3/c1-13(14-5-3-2-4-6-14)24-16-7-9-17(10-8-16)25-20(28)15-11-18-19(23-12-15)26-22(30)27-21(18)29/h2-13,24H,1H3,(H,25,28)(H2,23,26,27,29,30)
InChIKeyPAMQHQWGTLNVNO-UHFFFAOYSA-N
XLogP3.04
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 48500610) is 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is CC(Nc1ccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)cc1)c1ccccc1.
What is the InChIKey of 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PAMQHQWGTLNVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13(14-5-3-2-4-6-14)24-16-7-9-17(10-8-16)25-20(28)15-11-18-19(23-12-15)26-22(30)27-21(18)29/h2-13,24H,1H3,(H,25,28)(H2,23,26,27,29,30).
What are the key properties of 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 48500610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).