N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

C19H23N3O — CID 53159732

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H23N3O/c1-22-14-17(16-8-10-20-11-9-16)13-18(22)19(23)21-12-7-15-5-3-2-4-6-15/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,21,23)
InChIKeyXWYPTCZRUFCVFJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159732) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159732
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H23N3O/c1-22-14-17(16-8-10-20-11-9-16)13-18(22)19(23)21-12-7-15-5-3-2-4-6-15/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,21,23)
InChIKeyXWYPTCZRUFCVFJ-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159749
N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 29261731
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110849180
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 50802064
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257032
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 9118961
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159732) is N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is Cn1cc(-c2ccncc2)cc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is XWYPTCZRUFCVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22-14-17(16-8-10-20-11-9-16)13-18(22)19(23)21-12-7-15-5-3-2-4-6-15/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).