3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide

C15H22ClN3O — CID 107415196

IUPAC3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCC2CCC(C)C2)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-13-7-6-12(16)14(19-13)15(20)18-9-11-5-4-10(2)8-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyULZZUKSBQGWMIR-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.33
Rot. Bonds5

About 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide (PubChem CID 107415196) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
PubChem CID107415196
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCC2CCC(C)C2)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-13-7-6-12(16)14(19-13)15(20)18-9-11-5-4-10(2)8-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyULZZUKSBQGWMIR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 63940498
4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62170609
3-chloro-N-(2,3-dimethylcyclohexyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62165310
2-chloro-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107415687
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401299
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
3-chloro-N-(4-chloro-2-iodophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide (CID 107415196) is 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCC2CCC(C)C2)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The InChIKey is ULZZUKSBQGWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-17-13-7-6-12(16)14(19-13)15(20)18-9-11-5-4-10(2)8-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107415196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).