N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C15H16N2O2 — CID 86975589

IUPACN-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17(15(18)13-4-3-9-16-10-13)11-12-5-7-14(19-2)8-6-12/h3-10H,11H2,1-2H3
InChIKeyJGCQFNDDKSZKCP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.36
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 86975589) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID86975589
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17(15(18)13-4-3-9-16-10-13)11-12-5-7-14(19-2)8-6-12/h3-10H,11H2,1-2H3
InChIKeyJGCQFNDDKSZKCP-UHFFFAOYSA-N
XLogP2.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 86975589) is N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is COc1ccc(CN(C)C(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is JGCQFNDDKSZKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(15(18)13-4-3-9-16-10-13)11-12-5-7-14(19-2)8-6-12/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 86975589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).