6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide

C15H22ClN3O — CID 59830775

IUPAC6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1nc(Cl)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-2-10-17-14-12(8-9-13(16)19-14)15(20)18-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyPQWFKFXNYVPKNF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.62
Rot. Bonds5

About 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide

6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 59830775) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID59830775
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1nc(Cl)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-2-10-17-14-12(8-9-13(16)19-14)15(20)18-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyPQWFKFXNYVPKNF-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.62
H-Bond Donors ≤ 52
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 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide (CID 59830775) is 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1nc(Cl)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is PQWFKFXNYVPKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-10-17-14-12(8-9-13(16)19-14)15(20)18-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide?
6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 59830775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).