3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide

C17H27N3O — CID 105070287

IUPAC3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C17H27N3O/c1-3-19-16-12-18-9-8-15(16)17(21)20-10-7-14-6-4-5-13(2)11-14/h8-9,12-14,19H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyWUHQUALRXZLKIZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.46
Rot. Bonds6

About 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide

3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide (PubChem CID 105070287) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
PubChem CID105070287
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C17H27N3O/c1-3-19-16-12-18-9-8-15(16)17(21)20-10-7-14-6-4-5-13(2)11-14/h8-9,12-14,19H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyWUHQUALRXZLKIZ-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070285
N-(2-cyclobutylethyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072473
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070253
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
3-fluoro-2-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105388388
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide (CID 105070287) is 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCC1CCCC(C)C1.
What is the InChIKey of 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
The InChIKey is WUHQUALRXZLKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-16-12-18-9-8-15(16)17(21)20-10-7-14-6-4-5-13(2)11-14/h8-9,12-14,19H,3-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide?
3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105070287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).