7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C27H25N5O4 — CID 166190899

IUPAC7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCN(C(=O)Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1)c1ccccc1
InChIInChI=1S/C27H25N5O4/c1-31(19-6-4-3-5-7-19)22(33)14-16-8-12-18(13-9-16)28-25(34)20-15-21(17-10-11-17)29-24-23(20)26(35)30-27(36)32(24)2/h3-9,12-13,15,17H,10-11,14H2,1-2H3,(H,28,34)(H,30,35,36)
InChIKeySMAALAHUWGKCQT-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.96
Rot. Bonds6

About 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166190899) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID166190899
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCN(C(=O)Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1)c1ccccc1
InChIInChI=1S/C27H25N5O4/c1-31(19-6-4-3-5-7-19)22(33)14-16-8-12-18(13-9-16)28-25(34)20-15-21(17-10-11-17)29-24-23(20)26(35)30-27(36)32(24)2/h3-9,12-13,15,17H,10-11,14H2,1-2H3,(H,28,34)(H,30,35,36)
InChIKeySMAALAHUWGKCQT-UHFFFAOYSA-N
XLogP2.96
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-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 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 166190899) is 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CN(C(=O)Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1)c1ccccc1.
What is the InChIKey of 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SMAALAHUWGKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-31(19-6-4-3-5-7-19)22(33)14-16-8-12-18(13-9-16)28-25(34)20-15-21(17-10-11-17)29-24-23(20)26(35)30-27(36)32(24)2/h3-9,12-13,15,17H,10-11,14H2,1-2H3,(H,28,34)(H,30,35,36).
What are the key properties of 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166190899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).