2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C28H36N6O4 — CID 46892843

IUPAC2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ncc(OC4CCN(C5CCCC5)CC4)cc3c(=O)n2CC(=O)NC(C)C)n1
InChIInChI=1S/C28H36N6O4/c1-18(2)30-24(35)17-34-27(23-9-6-10-25(31-23)37-3)32-26-22(28(34)36)15-21(16-29-26)38-20-11-13-33(14-12-20)19-7-4-5-8-19/h6,9-10,15-16,18-20H,4-5,7-8,11-14,17H2,1-3H3,(H,30,35)
InChIKeyLDSKJDFGADBCRL-UHFFFAOYSA-N
MW520.63 g/mol
LogP3.17
Rot. Bonds8

About 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 46892843) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID46892843
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC Name2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ncc(OC4CCN(C5CCCC5)CC4)cc3c(=O)n2CC(=O)NC(C)C)n1
InChIInChI=1S/C28H36N6O4/c1-18(2)30-24(35)17-34-27(23-9-6-10-25(31-23)37-3)32-26-22(28(34)36)15-21(16-29-26)38-20-11-13-33(14-12-20)19-7-4-5-8-19/h6,9-10,15-16,18-20H,4-5,7-8,11-14,17H2,1-3H3,(H,30,35)
InChIKeyLDSKJDFGADBCRL-UHFFFAOYSA-N
XLogP3.17
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 46892843) is 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ncc(OC4CCN(C5CCCC5)CC4)cc3c(=O)n2CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is LDSKJDFGADBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-18(2)30-24(35)17-34-27(23-9-6-10-25(31-23)37-3)32-26-22(28(34)36)15-21(16-29-26)38-20-11-13-33(14-12-20)19-7-4-5-8-19/h6,9-10,15-16,18-20H,4-5,7-8,11-14,17H2,1-3H3,(H,30,35).
What are the key properties of 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 520.63 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-cyclopentylpiperidin-4-yl)oxy-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 46892843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).