N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

C21H22N4O — CID 109183818

IUPACN-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)c1
InChIInChI=1S/C21H22N4O/c22-14-17-7-4-8-18(13-17)25-21(26)20-10-9-19(15-24-20)23-12-11-16-5-2-1-3-6-16/h4-5,7-10,13,15,23H,1-3,6,11-12H2,(H,25,26)
InChIKeyNGSOQFXSHFOYCS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.51
Rot. Bonds6

About N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 109183818) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
PubChem CID109183818
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)c1
InChIInChI=1S/C21H22N4O/c22-14-17-7-4-8-18(13-17)25-21(26)20-10-9-19(15-24-20)23-12-11-16-5-2-1-3-6-16/h4-5,7-10,13,15,23H,1-3,6,11-12H2,(H,25,26)
InChIKeyNGSOQFXSHFOYCS-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275644
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
4-(3-cyanoanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109205532
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
N-(4-cyanophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109299453
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183683

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (CID 109183818) is N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is NGSOQFXSHFOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-14-17-7-4-8-18(13-17)25-21(26)20-10-9-19(15-24-20)23-12-11-16-5-2-1-3-6-16/h4-5,7-10,13,15,23H,1-3,6,11-12H2,(H,25,26).
What are the key properties of N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109183818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).