N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide

C21H25N3O — CID 113010234

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C21H25N3O/c1-16-7-5-6-10-19(16)21(25)24-18-11-12-20(23-15-18)22-14-13-17-8-3-2-4-9-17/h5-8,10-12,15H,2-4,9,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyPJLZMQMIGGCHFS-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.94
Rot. Bonds6

About N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide (PubChem CID 113010234) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
PubChem CID113010234
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C21H25N3O/c1-16-7-5-6-10-19(16)21(25)24-18-11-12-20(23-15-18)22-14-13-17-8-3-2-4-9-17/h5-8,10-12,15H,2-4,9,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyPJLZMQMIGGCHFS-UHFFFAOYSA-N
XLogP4.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.94
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

1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113010275
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113010267
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
methyl 3-[[6-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109152757
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide (CID 113010234) is N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(NCCC2=CCCCC2)nc1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide?
The InChIKey is PJLZMQMIGGCHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-7-5-6-10-19(16)21(25)24-18-11-12-20(23-15-18)22-14-13-17-8-3-2-4-9-17/h5-8,10-12,15H,2-4,9,13-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide has a molecular weight of 335.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113010234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).