8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

C25H30N6O3 — CID 24936989

IUPAC8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(C2CCCC2)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O
InChIInChI=1S/C25H30N6O3/c1-34-30-24(33)21-15-31(19-4-2-3-5-19)23-20(22(21)32)14-27-25(29-23)28-18-8-6-16(7-9-18)17-10-12-26-13-11-17/h6-9,14-15,17,19,26H,2-5,10-13H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyCGXJZEPTWQQPCE-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.41
Rot. Bonds6

About 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24936989) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24936989
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(C2CCCC2)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O
InChIInChI=1S/C25H30N6O3/c1-34-30-24(33)21-15-31(19-4-2-3-5-19)23-20(22(21)32)14-27-25(29-23)28-18-8-6-16(7-9-18)17-10-12-26-13-11-17/h6-9,14-15,17,19,26H,2-5,10-13H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyCGXJZEPTWQQPCE-UHFFFAOYSA-N
XLogP3.41
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 24936989) is 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(C2CCCC2)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O.
What is the InChIKey of 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CGXJZEPTWQQPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-34-30-24(33)21-15-31(19-4-2-3-5-19)23-20(22(21)32)14-27-25(29-23)28-18-8-6-16(7-9-18)17-10-12-26-13-11-17/h6-9,14-15,17,19,26H,2-5,10-13H2,1H3,(H,30,33)(H,27,28,29).
What are the key properties of 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24936989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).