3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide

C16H17ClN2O2 — CID 66483737

IUPAC3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccncc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-12-4-3-5-13(10-12)21-9-8-19(2)16(20)14-6-7-18-11-15(14)17/h3-7,10-11H,8-9H2,1-2H3
InChIKeyZHQVZMBSKOGRJP-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.19
Rot. Bonds5

About 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide

3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide (PubChem CID 66483737) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
PubChem CID66483737
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccncc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-12-4-3-5-13(10-12)21-9-8-19(2)16(20)14-6-7-18-11-15(14)17/h3-7,10-11H,8-9H2,1-2H3
InChIKeyZHQVZMBSKOGRJP-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide (CID 66483737) is 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide is Cc1cccc(OCCN(C)C(=O)c2ccncc2Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is ZHQVZMBSKOGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12-4-3-5-13(10-12)21-9-8-19(2)16(20)14-6-7-18-11-15(14)17/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide?
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).