2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide

C16H24ClN3O — CID 63499717

IUPAC2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide
SMILESCCCC1CCC(NC(=O)c2cc(Cl)nc(NC)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-4-11-5-7-13(8-6-11)19-16(21)12-9-14(17)20-15(10-12)18-2/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGNLUJGKCNFOITJ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide

2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide (PubChem CID 63499717) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide
PubChem CID63499717
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide
SMILESCCCC1CCC(NC(=O)c2cc(Cl)nc(NC)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-4-11-5-7-13(8-6-11)19-16(21)12-9-14(17)20-15(10-12)18-2/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGNLUJGKCNFOITJ-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.87
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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Related Compounds

2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
2-chloro-N-cycloheptyl-6-(methylamino)pyridine-4-carboxamide
CID 62165625
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
2-chloro-6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 62241494
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62165695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide (CID 63499717) is 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide is CCCC1CCC(NC(=O)c2cc(Cl)nc(NC)c2)CC1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is GNLUJGKCNFOITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-4-11-5-7-13(8-6-11)19-16(21)12-9-14(17)20-15(10-12)18-2/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 63499717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).