8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide

C27H34N6O3 — CID 24938241

IUPAC8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O
InChIInChI=1S/C27H34N6O3/c1-36-31-26(35)23-18-33(21-7-3-2-4-8-21)25-22(24(23)34)17-28-27(30-25)29-20-11-9-19(10-12-20)13-16-32-14-5-6-15-32/h9-12,17-18,21H,2-8,13-16H2,1H3,(H,31,35)(H,28,29,30)
InChIKeyLYINTIKJROJCGF-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.97
Rot. Bonds8

About 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide

8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24938241) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24938241
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O
InChIInChI=1S/C27H34N6O3/c1-36-31-26(35)23-18-33(21-7-3-2-4-8-21)25-22(24(23)34)17-28-27(30-25)29-20-11-9-19(10-12-20)13-16-32-14-5-6-15-32/h9-12,17-18,21H,2-8,13-16H2,1H3,(H,31,35)(H,28,29,30)
InChIKeyLYINTIKJROJCGF-UHFFFAOYSA-N
XLogP3.97
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.97
H-Bond Donors ≤ 52
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-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 24938241) is 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O.
What is the InChIKey of 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LYINTIKJROJCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-36-31-26(35)23-18-33(21-7-3-2-4-8-21)25-22(24(23)34)17-28-27(30-25)29-20-11-9-19(10-12-20)13-16-32-14-5-6-15-32/h9-12,17-18,21H,2-8,13-16H2,1H3,(H,31,35)(H,28,29,30).
What are the key properties of 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide?
8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-N-methoxy-5-oxo-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24938241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).