8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C27H34N6O3 — CID 25218663

IUPAC8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O
InChIInChI=1S/C27H34N6O3/c1-32-14-12-19(13-15-32)18-8-10-20(11-9-18)29-27-28-16-22-24(34)23(26(35)31-36-2)17-33(25(22)30-27)21-6-4-3-5-7-21/h8-11,16-17,19,21H,3-7,12-15H2,1-2H3,(H,31,35)(H,28,29,30)
InChIKeyHMRDXCZNJVAJQN-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.14
Rot. Bonds6

About 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 25218663) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID25218663
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O
InChIInChI=1S/C27H34N6O3/c1-32-14-12-19(13-15-32)18-8-10-20(11-9-18)29-27-28-16-22-24(34)23(26(35)31-36-2)17-33(25(22)30-27)21-6-4-3-5-7-21/h8-11,16-17,19,21H,3-7,12-15H2,1-2H3,(H,31,35)(H,28,29,30)
InChIKeyHMRDXCZNJVAJQN-UHFFFAOYSA-N
XLogP4.14
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.14
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-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 25218663) is 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O.
What is the InChIKey of 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HMRDXCZNJVAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-32-14-12-19(13-15-32)18-8-10-20(11-9-18)29-27-28-16-22-24(34)23(26(35)31-36-2)17-33(25(22)30-27)21-6-4-3-5-7-21/h8-11,16-17,19,21H,3-7,12-15H2,1-2H3,(H,31,35)(H,28,29,30).
What are the key properties of 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25218663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).