N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide

C16H18N2O3 — CID 103337273

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2c[nH]ccc2=O)c1
InChIInChI=1S/C16H18N2O3/c1-12-4-3-5-13(10-12)21-9-8-18(2)16(20)14-11-17-7-6-15(14)19/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyBNVSNOYRSJTCHH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds5

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337273) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337273
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2c[nH]ccc2=O)c1
InChIInChI=1S/C16H18N2O3/c1-12-4-3-5-13(10-12)21-9-8-18(2)16(20)14-11-17-7-6-15(14)19/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyBNVSNOYRSJTCHH-UHFFFAOYSA-N
XLogP1.83
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336958
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337377
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 36753631
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103337273) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cccc(OCCN(C)C(=O)c2c[nH]ccc2=O)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BNVSNOYRSJTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-4-3-5-13(10-12)21-9-8-18(2)16(20)14-11-17-7-6-15(14)19/h3-7,10-11H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).