2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide

C17H18N4O3 — CID 138996405

IUPAC2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(C#N)cn2)c(OC)c1
InChIInChI=1S/C17H18N4O3/c1-23-14-5-4-13(15(7-14)24-2)10-21-17(22)11-20-16-6-3-12(8-18)9-19-16/h3-7,9H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYXKFDROTUBXBRE-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.70
Rot. Bonds7

About 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide

2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 138996405) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
PubChem CID138996405
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(C#N)cn2)c(OC)c1
InChIInChI=1S/C17H18N4O3/c1-23-14-5-4-13(15(7-14)24-2)10-21-17(22)11-20-16-6-3-12(8-18)9-19-16/h3-7,9H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYXKFDROTUBXBRE-UHFFFAOYSA-N
XLogP1.70
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
CID 55577746
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
CID 110179389
2-[(5-methoxy-2-pyridinyl)amino]-N-propylacetamide
CID 106503985
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
(2,4-dimethoxyphenyl)methylurea
CID 53362457
4-[(2,4-dimethoxyanilino)methyl]-3-methylbenzonitrile
CID 114479588
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide (CID 138996405) is 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2ccc(C#N)cn2)c(OC)c1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is YXKFDROTUBXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-14-5-4-13(15(7-14)24-2)10-21-17(22)11-20-16-6-3-12(8-18)9-19-16/h3-7,9H,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 138996405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).