5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide

C21H28N6O3 — CID 71837973

IUPAC5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCOCC3)nc(C(=O)NCCCN3CCCC3=O)nc2n1
InChIInChI=1S/C21H28N6O3/c1-14-13-15(2)23-18-17(14)20(27-9-11-30-12-10-27)25-19(24-18)21(29)22-6-4-8-26-7-3-5-16(26)28/h13H,3-12H2,1-2H3,(H,22,29)
InChIKeyGRQTVIXRDORXJF-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.22
Rot. Bonds6

About 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide

5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 71837973) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID71837973
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCOCC3)nc(C(=O)NCCCN3CCCC3=O)nc2n1
InChIInChI=1S/C21H28N6O3/c1-14-13-15(2)23-18-17(14)20(27-9-11-30-12-10-27)25-19(24-18)21(29)22-6-4-8-26-7-3-5-16(26)28/h13H,3-12H2,1-2H3,(H,22,29)
InChIKeyGRQTVIXRDORXJF-UHFFFAOYSA-N
XLogP1.22
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-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

5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
5,7-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837939
N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837960
6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168150
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 117080609
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 117089914

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide (CID 71837973) is 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide is Cc1cc(C)c2c(N3CCOCC3)nc(C(=O)NCCCN3CCCC3=O)nc2n1.
What is the InChIKey of 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is GRQTVIXRDORXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-14-13-15(2)23-18-17(14)20(27-9-11-30-12-10-27)25-19(24-18)21(29)22-6-4-8-26-7-3-5-16(26)28/h13H,3-12H2,1-2H3,(H,22,29).
What are the key properties of 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide?
5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 71837973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).