1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide

C23H23ClN4O2 — CID 112827539

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H23ClN4O2/c24-20-7-3-2-6-17(20)15-28-16-18(8-11-22(28)29)23(30)26-21-10-9-19(14-25-21)27-12-4-1-5-13-27/h2-3,6-11,14,16H,1,4-5,12-13,15H2,(H,25,26,30)
InChIKeyYDIXWCCQJBFWQC-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.19
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 112827539) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID112827539
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H23ClN4O2/c24-20-7-3-2-6-17(20)15-28-16-18(8-11-22(28)29)23(30)26-21-10-9-19(14-25-21)27-12-4-1-5-13-27/h2-3,6-11,14,16H,1,4-5,12-13,15H2,(H,25,26,30)
InChIKeyYDIXWCCQJBFWQC-UHFFFAOYSA-N
XLogP4.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide (CID 112827539) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is YDIXWCCQJBFWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-20-7-3-2-6-17(20)15-28-16-18(8-11-22(28)29)23(30)26-21-10-9-19(14-25-21)27-12-4-1-5-13-27/h2-3,6-11,14,16H,1,4-5,12-13,15H2,(H,25,26,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 112827539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).