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

C20H21Cl2N3O — CID 109227622

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C20H21Cl2N3O/c21-16-9-17(22)11-18(10-16)25-20(26)15-8-19(13-23-12-15)24-7-6-14-4-2-1-3-5-14/h4,8-13,24H,1-3,5-7H2,(H,25,26)
InChIKeyMHKSKJHFSXFNHI-UHFFFAOYSA-N
MW390.31 g/mol
LogP5.94
Rot. Bonds6

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

5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 109227622) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
PubChem CID109227622
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C20H21Cl2N3O/c21-16-9-17(22)11-18(10-16)25-20(26)15-8-19(13-23-12-15)24-7-6-14-4-2-1-3-5-14/h4,8-13,24H,1-3,5-7H2,(H,25,26)
InChIKeyMHKSKJHFSXFNHI-UHFFFAOYSA-N
XLogP5.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.94
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

N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
5-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109227601
N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227546
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227625
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109227597
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103350
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide (CID 109227622) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NCCC2=CCCCC2)c1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is MHKSKJHFSXFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-16-9-17(22)11-18(10-16)25-20(26)15-8-19(13-23-12-15)24-7-6-14-4-2-1-3-5-14/h4,8-13,24H,1-3,5-7H2,(H,25,26).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 390.31 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).