5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide

C16H24ClN3O — CID 133380757

IUPAC5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)CCC1CCN(c2ncc(C(N)=O)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-11(2)3-4-12-5-7-20(8-6-12)16-14(17)9-13(10-19-16)15(18)21/h9-12H,3-8H2,1-2H3,(H2,18,21)
InChIKeyHKPBNHIAWLHFHO-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.49
Rot. Bonds5

About 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133380757) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133380757
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)CCC1CCN(c2ncc(C(N)=O)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-11(2)3-4-12-5-7-20(8-6-12)16-14(17)9-13(10-19-16)15(18)21/h9-12H,3-8H2,1-2H3,(H2,18,21)
InChIKeyHKPBNHIAWLHFHO-UHFFFAOYSA-N
XLogP3.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide (CID 133380757) is 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide is CC(C)CCC1CCN(c2ncc(C(N)=O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is HKPBNHIAWLHFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)3-4-12-5-7-20(8-6-12)16-14(17)9-13(10-19-16)15(18)21/h9-12H,3-8H2,1-2H3,(H2,18,21).
What are the key properties of 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133380757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).