N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide

C16H18N2O — CID 110787308

IUPACN-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C)c(CCNC(=O)c2ccncc2)c1
InChIInChI=1S/C16H18N2O/c1-12-3-4-13(2)15(11-12)7-10-18-16(19)14-5-8-17-9-6-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19)
InChIKeyIQCSFQUDZRELSS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide

N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110787308) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID110787308
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C)c(CCNC(=O)c2ccncc2)c1
InChIInChI=1S/C16H18N2O/c1-12-3-4-13(2)15(11-12)7-10-18-16(19)14-5-8-17-9-6-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19)
InChIKeyIQCSFQUDZRELSS-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 110790543
3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499
N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787166
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 7402621
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide (CID 110787308) is N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide is Cc1ccc(C)c(CCNC(=O)c2ccncc2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is IQCSFQUDZRELSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-3-4-13(2)15(11-12)7-10-18-16(19)14-5-8-17-9-6-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110787308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).