5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide

C20H22N6O2 — CID 68584083

IUPAC5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)c2nc(NCCN3CCCC3)ncc2c1=O
InChIInChI=1S/C20H22N6O2/c21-18(28)16-13-26(14-6-2-1-3-7-14)19-15(17(16)27)12-23-20(24-19)22-8-11-25-9-4-5-10-25/h1-3,6-7,12-13H,4-5,8-11H2,(H2,21,28)(H,22,23,24)
InChIKeySDUGPZMLEZMXPF-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.39
Rot. Bonds6

About 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide

5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 68584083) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID68584083
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)c2nc(NCCN3CCCC3)ncc2c1=O
InChIInChI=1S/C20H22N6O2/c21-18(28)16-13-26(14-6-2-1-3-7-14)19-15(17(16)27)12-23-20(24-19)22-8-11-25-9-4-5-10-25/h1-3,6-7,12-13H,4-5,8-11H2,(H2,21,28)(H,22,23,24)
InChIKeySDUGPZMLEZMXPF-UHFFFAOYSA-N
XLogP1.39
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)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

Related Compounds

ethyl 2-(2-methoxyethylamino)-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583605
2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 155672586
8-phenyl-11-(2-pyrrolidin-1-ylethylamino)-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90408101
2-(benzylamino)-5-oxo-8-phenyl-N-prop-2-ynylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 155672568
8-phenyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 69378325
8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 71096353
ethyl 8-cyclohexyl-5-oxo-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583351
4-[2-(dimethylamino)ethylamino]-8-oxo-N-(2-pyrrolidin-1-ylethyl)-11-thia-1,3,5-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,9,12,14,16-heptaene-9-carboxamide
CID 59516625
carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 91075124
2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 70493493
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-[4-(2-aminoethyl)anilino]-8-(3-chloro-4-fluorophenyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 71096320

Frequently Asked Questions

What is the IUPAC name of 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 68584083) is 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cn(-c2ccccc2)c2nc(NCCN3CCCC3)ncc2c1=O.
What is the InChIKey of 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SDUGPZMLEZMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c21-18(28)16-13-26(14-6-2-1-3-7-14)19-15(17(16)27)12-23-20(24-19)22-8-11-25-9-4-5-10-25/h1-3,6-7,12-13H,4-5,8-11H2,(H2,21,28)(H,22,23,24).
What are the key properties of 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide?
5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 68584083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).