4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide

C19H29N3O — CID 109205591

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C19H29N3O/c1-15(2)8-11-22-19(23)18-14-17(10-13-21-18)20-12-9-16-6-4-3-5-7-16/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBUTRECLMXGFBDW-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.16
Rot. Bonds8

About 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide

4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109205591) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109205591
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(NCCC2=CCCCC2)ccn1
InChIInChI=1S/C19H29N3O/c1-15(2)8-11-22-19(23)18-14-17(10-13-21-18)20-12-9-16-6-4-3-5-7-16/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBUTRECLMXGFBDW-UHFFFAOYSA-N
XLogP4.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109299371
4-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109202082
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109205510
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109205535
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109205591) is 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc(NCCC2=CCCCC2)ccn1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is BUTRECLMXGFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(2)8-11-22-19(23)18-14-17(10-13-21-18)20-12-9-16-6-4-3-5-7-16/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).