4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide

C21H22N4O — CID 109205532

IUPAC4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCCC3=CCCCC3)c2)c1
InChIInChI=1S/C21H22N4O/c22-15-17-7-4-8-18(13-17)25-19-10-12-23-20(14-19)21(26)24-11-9-16-5-2-1-3-6-16/h4-5,7-8,10,12-14H,1-3,6,9,11H2,(H,23,25)(H,24,26)
InChIKeyAYEUDGFQQYLPPD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.32
Rot. Bonds6

About 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide

4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109205532) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID109205532
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)NCCC3=CCCCC3)c2)c1
InChIInChI=1S/C21H22N4O/c22-15-17-7-4-8-18(13-17)25-19-10-12-23-20(14-19)21(26)24-11-9-16-5-2-1-3-6-16/h4-5,7-8,10,12-14H,1-3,6,9,11H2,(H,23,25)(H,24,26)
InChIKeyAYEUDGFQQYLPPD-UHFFFAOYSA-N
XLogP4.32
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109205535
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109205510
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183818
ethyl 4-[[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109205527
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275644
4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082107
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide (CID 109205532) is 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide is N#Cc1cccc(Nc2ccnc(C(=O)NCCC3=CCCCC3)c2)c1.
What is the InChIKey of 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is AYEUDGFQQYLPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-15-17-7-4-8-18(13-17)25-19-10-12-23-20(14-19)21(26)24-11-9-16-5-2-1-3-6-16/h4-5,7-8,10,12-14H,1-3,6,9,11H2,(H,23,25)(H,24,26).
What are the key properties of 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide?
4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109205532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).