N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide

C20H21F2N3O — CID 109205535

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C20H21F2N3O/c21-16-7-4-8-17(22)19(16)25-15-10-12-23-18(13-15)20(26)24-11-9-14-5-2-1-3-6-14/h4-5,7-8,10,12-13H,1-3,6,9,11H2,(H,23,25)(H,24,26)
InChIKeyLIDLICJWTICSSM-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.72
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide (PubChem CID 109205535) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide
PubChem CID109205535
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C20H21F2N3O/c21-16-7-4-8-17(22)19(16)25-15-10-12-23-18(13-15)20(26)24-11-9-14-5-2-1-3-6-14/h4-5,7-8,10,12-13H,1-3,6,9,11H2,(H,23,25)(H,24,26)
InChIKeyLIDLICJWTICSSM-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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

4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109205532
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,6-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109364617
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109205510
4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109205591
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109342721
4-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109202082
ethyl 4-[[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109205527
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide (CID 109205535) is N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide is O=C(NCCC1=CCCCC1)c1cc(Nc2c(F)cccc2F)ccn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide?
The InChIKey is LIDLICJWTICSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-16-7-4-8-17(22)19(16)25-15-10-12-23-18(13-15)20(26)24-11-9-14-5-2-1-3-6-14/h4-5,7-8,10,12-13H,1-3,6,9,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(2,6-difluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109205535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).