3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide

C16H16N4O — CID 109023612

IUPAC3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#Cc1cccc(NCCC(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H16N4O/c17-10-13-3-1-5-15(9-13)19-8-6-16(21)20-12-14-4-2-7-18-11-14/h1-5,7,9,11,19H,6,8,12H2,(H,20,21)
InChIKeyGLDBCXFLZWHLEA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds6

About 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109023612) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109023612
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#Cc1cccc(NCCC(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H16N4O/c17-10-13-3-1-5-15(9-13)19-8-6-16(21)20-12-14-4-2-7-18-11-14/h1-5,7,9,11,19H,6,8,12H2,(H,20,21)
InChIKeyGLDBCXFLZWHLEA-UHFFFAOYSA-N
XLogP2.07
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235482
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093
2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157287
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 109023612) is 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide is N#Cc1cccc(NCCC(=O)NCc2cccnc2)c1.
What is the InChIKey of 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GLDBCXFLZWHLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-10-13-3-1-5-15(9-13)19-8-6-16(21)20-12-14-4-2-7-18-11-14/h1-5,7,9,11,19H,6,8,12H2,(H,20,21).
What are the key properties of 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109023612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).