N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C22H27N3O — CID 109227375

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C22H27N3O/c1-17-7-5-6-10-19(17)15-25-21-13-20(14-23-16-21)22(26)24-12-11-18-8-3-2-4-9-18/h5-8,10,13-14,16,25H,2-4,9,11-12,15H2,1H3,(H,24,26)
InChIKeyKABGQRPAJZQWDL-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109227375) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109227375
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C22H27N3O/c1-17-7-5-6-10-19(17)15-25-21-13-20(14-23-16-21)22(26)24-12-11-18-8-3-2-4-9-18/h5-8,10,13-14,16,25H,2-4,9,11-12,15H2,1H3,(H,24,26)
InChIKeyKABGQRPAJZQWDL-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.62
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-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109227465
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,4-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103349
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232100
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103350
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109227459
N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227546
5-(1,3-benzodioxol-5-ylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109227479

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109227375) is N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccccc1CNc1cncc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is KABGQRPAJZQWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-7-5-6-10-19(17)15-25-21-13-20(14-23-16-21)22(26)24-12-11-18-8-3-2-4-9-18/h5-8,10,13-14,16,25H,2-4,9,11-12,15H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109227375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).