6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide

C20H22ClN3O — CID 109152824

IUPAC6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C20H22ClN3O/c21-17-7-4-8-18(13-17)24-19-10-9-16(14-23-19)20(25)22-12-11-15-5-2-1-3-6-15/h4-5,7-10,13-14H,1-3,6,11-12H2,(H,22,25)(H,23,24)
InChIKeyMSXSLMMYAPJIBM-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.10
Rot. Bonds6

About 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide

6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 109152824) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID109152824
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C20H22ClN3O/c21-17-7-4-8-18(13-17)24-19-10-9-16(14-23-19)20(25)22-12-11-15-5-2-1-3-6-15/h4-5,7-10,13-14H,1-3,6,11-12H2,(H,22,25)(H,23,24)
InChIKeyMSXSLMMYAPJIBM-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.10
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-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082107
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
2-(3-chloro-4-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251104
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183683
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109161981
N-[2-(cyclohexen-1-yl)ethyl]-3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322394

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide (CID 109152824) is 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MSXSLMMYAPJIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-17-7-4-8-18(13-17)24-19-10-9-16(14-23-19)20(25)22-12-11-15-5-2-1-3-6-15/h4-5,7-10,13-14H,1-3,6,11-12H2,(H,22,25)(H,23,24).
What are the key properties of 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109152824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).