N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

C22H26ClN3O2 — CID 109227625

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-10-20(21(28-2)12-19(15)23)26-22(27)17-11-18(14-24-13-17)25-9-8-16-6-4-3-5-7-16/h6,10-14,25H,3-5,7-9H2,1-2H3,(H,26,27)
InChIKeyLEHVNLKNPLCTGA-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.61
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 109227625) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
PubChem CID109227625
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-10-20(21(28-2)12-19(15)23)26-22(27)17-11-18(14-24-13-17)25-9-8-16-6-4-3-5-7-16/h6,10-14,25H,3-5,7-9H2,1-2H3,(H,26,27)
InChIKeyLEHVNLKNPLCTGA-UHFFFAOYSA-N
XLogP5.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.61
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

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109227597
5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109227622
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109239484
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-[2-(cyclohexen-1-yl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109227459
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
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-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (CID 109227625) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cncc(NCCC2=CCCCC2)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is LEHVNLKNPLCTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-10-20(21(28-2)12-19(15)23)26-22(27)17-11-18(14-24-13-17)25-9-8-16-6-4-3-5-7-16/h6,10-14,25H,3-5,7-9H2,1-2H3,(H,26,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109227625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).