N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide

C20H21F2N3O — CID 113010267

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(NCCC2=CCCCC2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O/c21-17-8-6-15(12-18(17)22)20(26)25-16-7-9-19(24-13-16)23-11-10-14-4-2-1-3-5-14/h4,6-9,12-13H,1-3,5,10-11H2,(H,23,24)(H,25,26)
InChIKeyWAWLYVGARQBWDE-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.91
Rot. Bonds6

About N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113010267) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
PubChem CID113010267
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(NCCC2=CCCCC2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O/c21-17-8-6-15(12-18(17)22)20(26)25-16-7-9-19(24-13-16)23-11-10-14-4-2-1-3-5-14/h4,6-9,12-13H,1-3,5,10-11H2,(H,23,24)(H,25,26)
InChIKeyWAWLYVGARQBWDE-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.91
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

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109152763
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234
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
methyl 3-[[6-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109152757
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
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109166702
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109323370

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide (CID 113010267) is N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide is O=C(Nc1ccc(NCCC2=CCCCC2)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is WAWLYVGARQBWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-17-8-6-15(12-18(17)22)20(26)25-16-7-9-19(24-13-16)23-11-10-14-4-2-1-3-5-14/h4,6-9,12-13H,1-3,5,10-11H2,(H,23,24)(H,25,26).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide has a molecular weight of 357.40 g/mol, XLogP of 4.91, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 113010267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).