5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide

C16H24ClN3O — CID 114922216

IUPAC5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCCCC2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3O/c1-2-8-18-15-9-13(14(17)11-19-15)16(21)20-10-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyBVFVAMOJUCFQFQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.87
Rot. Bonds6

About 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114922216) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID114922216
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCCCC2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3O/c1-2-8-18-15-9-13(14(17)11-19-15)16(21)20-10-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyBVFVAMOJUCFQFQ-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922327
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide (CID 114922216) is 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC2CCCCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is BVFVAMOJUCFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-8-18-15-9-13(14(17)11-19-15)16(21)20-10-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).