6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide

C17H27N3O — CID 86847937

IUPAC6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NC2(C)CCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-4-20(5-2)15-10-9-14(13-18-15)16(21)19-17(3)11-7-6-8-12-17/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeyMZJLWOGXAFNECT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds5

About 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide

6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 86847937) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID86847937
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NC2(C)CCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-4-20(5-2)15-10-9-14(13-18-15)16(21)19-17(3)11-7-6-8-12-17/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeyMZJLWOGXAFNECT-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109
6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447882
N-(2-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119628032
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 52515152
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
CID 48679346
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
6-(diethylamino)-N-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 71934785
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
N-(3-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119997079

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide (CID 86847937) is 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NC2(C)CCCCC2)cn1.
What is the InChIKey of 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is MZJLWOGXAFNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(5-2)15-10-9-14(13-18-15)16(21)19-17(3)11-7-6-8-12-17/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,21).
What are the key properties of 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 86847937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).