N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide

C16H16N4O — CID 109023461

IUPACN-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESN#Cc1ccc(NC(=O)CCNCc2ccccn2)cc1
InChIInChI=1S/C16H16N4O/c17-11-13-4-6-14(7-5-13)20-16(21)8-10-18-12-15-3-1-2-9-19-15/h1-7,9,18H,8,10,12H2,(H,20,21)
InChIKeyPXHTWOIXLYOVIJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds6

About N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide

N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide (PubChem CID 109023461) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
PubChem CID109023461
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESN#Cc1ccc(NC(=O)CCNCc2ccccn2)cc1
InChIInChI=1S/C16H16N4O/c17-11-13-4-6-14(7-5-13)20-16(21)8-10-18-12-15-3-1-2-9-19-15/h1-7,9,18H,8,10,12H2,(H,20,21)
InChIKeyPXHTWOIXLYOVIJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide (CID 109023461) is N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide is N#Cc1ccc(NC(=O)CCNCc2ccccn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is PXHTWOIXLYOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-11-13-4-6-14(7-5-13)20-16(21)8-10-18-12-15-3-1-2-9-19-15/h1-7,9,18H,8,10,12H2,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)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 N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 109023461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).