N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide

C22H25N3O2 — CID 47802697

IUPACN-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
SMILESCc1cccc(C(=O)NCCC2=CCCCC2)c1NC(=O)c1ccncc1
InChIInChI=1S/C22H25N3O2/c1-16-6-5-9-19(20(16)25-21(26)18-11-13-23-14-12-18)22(27)24-15-10-17-7-3-2-4-8-17/h5-7,9,11-14H,2-4,8,10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyDFLJDTPZQMIHMX-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.26
Rot. Bonds6

About N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide

N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide (PubChem CID 47802697) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
PubChem CID47802697
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
SMILESCc1cccc(C(=O)NCCC2=CCCCC2)c1NC(=O)c1ccncc1
InChIInChI=1S/C22H25N3O2/c1-16-6-5-9-19(20(16)25-21(26)18-11-13-23-14-12-18)22(27)24-15-10-17-7-3-2-4-8-17/h5-7,9,11-14H,2-4,8,10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyDFLJDTPZQMIHMX-UHFFFAOYSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.26
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

3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,4-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103349
N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119556509
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704348
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide (CID 47802697) is N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide is Cc1cccc(C(=O)NCCC2=CCCCC2)c1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
The InChIKey is DFLJDTPZQMIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-6-5-9-19(20(16)25-21(26)18-11-13-23-14-12-18)22(27)24-15-10-17-7-3-2-4-8-17/h5-7,9,11-14H,2-4,8,10,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide?
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47802697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).