4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide

C15H20ClN3O2 — CID 81230031

IUPAC4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)15(21)19-7-4-11(5-8-19)18-14(20)12-9-17-6-3-13(12)16/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyJQGQGJVGKSIEPC-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.11
Rot. Bonds3

About 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide

4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 81230031) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID81230031
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)15(21)19-7-4-11(5-8-19)18-14(20)12-9-17-6-3-13(12)16/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyJQGQGJVGKSIEPC-UHFFFAOYSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 81230031) is 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide is CC(C)C(=O)N1CCC(NC(=O)c2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JQGQGJVGKSIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)15(21)19-7-4-11(5-8-19)18-14(20)12-9-17-6-3-13(12)16/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide?
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 81230031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).