4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C16H17ClN2O2 — CID 81230248

IUPAC4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cnccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-4-6-12(15)11-19(2)16(20)13-10-18-9-8-14(13)17/h4-10H,3,11H2,1-2H3
InChIKeyKOLVPLUJUNPGOF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.41
Rot. Bonds5

About 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 81230248) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID81230248
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1cnccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-4-6-12(15)11-19(2)16(20)13-10-18-9-8-14(13)17/h4-10H,3,11H2,1-2H3
InChIKeyKOLVPLUJUNPGOF-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 55958422
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 81230248) is 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is CCOc1ccccc1CN(C)C(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is KOLVPLUJUNPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-15-7-5-4-6-12(15)11-19(2)16(20)13-10-18-9-8-14(13)17/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81230248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).