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

C15H20ClN3O2 — CID 32584074

IUPAC4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)15(21)19-7-4-12(5-8-19)18-14(20)13-9-11(16)3-6-17-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyZTINEPKOUOBZMK-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.11
Rot. Bonds3

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

4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 32584074) 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-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID32584074
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)15(21)19-7-4-12(5-8-19)18-14(20)13-9-11(16)3-6-17-13/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyZTINEPKOUOBZMK-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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Related Compounds

4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30855703
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide (CID 32584074) is 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide is CC(C)C(=O)N1CCC(NC(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of 4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is ZTINEPKOUOBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)15(21)19-7-4-12(5-8-19)18-14(20)13-9-11(16)3-6-17-13/h3,6,9-10,12H,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-2-carboxamide?
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 32584074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).