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

C17H20N2O3 — CID 110795764

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccccn2)c(OC)cc1C
InChIInChI=1S/C17H20N2O3/c1-12-10-16(22-3)13(11-15(12)21-2)7-9-19-17(20)14-6-4-5-8-18-14/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,20)
InChIKeyMHKCRYFCHFZQOE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.38
Rot. Bonds6

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

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 110795764) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID110795764
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccccn2)c(OC)cc1C
InChIInChI=1S/C17H20N2O3/c1-12-10-16(22-3)13(11-15(12)21-2)7-9-19-17(20)14-6-4-5-8-18-14/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,20)
InChIKeyMHKCRYFCHFZQOE-UHFFFAOYSA-N
XLogP2.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 110795764) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide is COc1cc(CCNC(=O)c2ccccn2)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is MHKCRYFCHFZQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-10-16(22-3)13(11-15(12)21-2)7-9-19-17(20)14-6-4-5-8-18-14/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110795764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).