3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide

C16H16N4O — CID 109023302

IUPAC3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESN#Cc1ccccc1NCCC(=O)NCc1ccccn1
InChIInChI=1S/C16H16N4O/c17-11-13-5-1-2-7-15(13)19-10-8-16(21)20-12-14-6-3-4-9-18-14/h1-7,9,19H,8,10,12H2,(H,20,21)
InChIKeyHSBSBFHTPWFEEX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds6

About 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023302) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023302
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESN#Cc1ccccc1NCCC(=O)NCc1ccccn1
InChIInChI=1S/C16H16N4O/c17-11-13-5-1-2-7-15(13)19-10-8-16(21)20-12-14-6-3-4-9-18-14/h1-7,9,19H,8,10,12H2,(H,20,21)
InChIKeyHSBSBFHTPWFEEX-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

2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023302) is 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide is N#Cc1ccccc1NCCC(=O)NCc1ccccn1.
What is the InChIKey of 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is HSBSBFHTPWFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-11-13-5-1-2-7-15(13)19-10-8-16(21)20-12-14-6-3-4-9-18-14/h1-7,9,19H,8,10,12H2,(H,20,21).
What are the key properties of 3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(2-cyanoanilino)-N-(pyridin-2-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-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).