2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide

C15H22ClN3O — CID 60725190

IUPAC2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(2)19-8-5-13(6-9-19)18(3)15(20)12-4-7-17-14(16)10-12/h4,7,10-11,13H,5-6,8-9H2,1-3H3
InChIKeyKHMIGLKJHXOPDQ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide

2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 60725190) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID60725190
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(2)19-8-5-13(6-9-19)18(3)15(20)12-4-7-17-14(16)10-12/h4,7,10-11,13H,5-6,8-9H2,1-3H3
InChIKeyKHMIGLKJHXOPDQ-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide (CID 60725190) is 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide is CC(C)N1CCC(N(C)C(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is KHMIGLKJHXOPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(2)19-8-5-13(6-9-19)18(3)15(20)12-4-7-17-14(16)10-12/h4,7,10-11,13H,5-6,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide?
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60725190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).