N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide

C16H17ClN2O2 — CID 110788799

IUPACN-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C)c(Cl)cc1CCNC(=O)c1ccncc1
InChIInChI=1S/C16H17ClN2O2/c1-11-9-15(21-2)13(10-14(11)17)5-8-19-16(20)12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20)
InChIKeyBRBPRHBIXKPHCV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide

N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 110788799) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID110788799
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C)c(Cl)cc1CCNC(=O)c1ccncc1
InChIInChI=1S/C16H17ClN2O2/c1-11-9-15(21-2)13(10-14(11)17)5-8-19-16(20)12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20)
InChIKeyBRBPRHBIXKPHCV-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
4-acetamido-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]benzamide
CID 110795325
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
CID 110788802
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 110795764
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 110790543
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide (CID 110788799) is N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide is COc1cc(C)c(Cl)cc1CCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is BRBPRHBIXKPHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-9-15(21-2)13(10-14(11)17)5-8-19-16(20)12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110788799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).