7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C21H23N5O3 — CID 78860350

IUPAC7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3cccnc3)cc(C3CC3)nc21
InChIInChI=1S/C21H23N5O3/c1-3-9-26-18-17(19(27)24-21(26)29)15(10-16(23-18)14-6-7-14)20(28)25(2)12-13-5-4-8-22-11-13/h4-5,8,10-11,14H,3,6-7,9,12H2,1-2H3,(H,24,27,29)
InChIKeyXOGMYEDFPYZECK-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.04
Rot. Bonds6

About 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 78860350) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID78860350
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3cccnc3)cc(C3CC3)nc21
InChIInChI=1S/C21H23N5O3/c1-3-9-26-18-17(19(27)24-21(26)29)15(10-16(23-18)14-6-7-14)20(28)25(2)12-13-5-4-8-22-11-13/h4-5,8,10-11,14H,3,6-7,9,12H2,1-2H3,(H,24,27,29)
InChIKeyXOGMYEDFPYZECK-UHFFFAOYSA-N
XLogP2.04
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[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

Related Compounds

3-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111825
7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55595228
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-ethyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39628079
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39683908
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 78860350) is 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3cccnc3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XOGMYEDFPYZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-9-26-18-17(19(27)24-21(26)29)15(10-16(23-18)14-6-7-14)20(28)25(2)12-13-5-4-8-22-11-13/h4-5,8,10-11,14H,3,6-7,9,12H2,1-2H3,(H,24,27,29).
What are the key properties of 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-methyl-2,4-dioxo-1-propyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 78860350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).