2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide

C17H18ClN3O3 — CID 113163672

IUPAC2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2cccnc2)C(C)=O)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-12(22)21(10-13-4-3-7-19-9-13)11-17(23)20-14-5-6-16(24-2)15(18)8-14/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyGYSOWRRRCPBHQC-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.73
Rot. Bonds6

About 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 113163672) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID113163672
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2cccnc2)C(C)=O)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-12(22)21(10-13-4-3-7-19-9-13)11-17(23)20-14-5-6-16(24-2)15(18)8-14/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyGYSOWRRRCPBHQC-UHFFFAOYSA-N
XLogP2.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163474
1-benzyl-3-(3-chloro-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 3504371
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963572
6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098282

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 113163672) is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2cccnc2)C(C)=O)cc1Cl.
What is the InChIKey of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is GYSOWRRRCPBHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12(22)21(10-13-4-3-7-19-9-13)11-17(23)20-14-5-6-16(24-2)15(18)8-14/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 113163672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).