N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide

C15H16N4O — CID 114650377

IUPACN-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide
SMILESN#Cc1cccn1CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H16N4O/c16-11-12-5-3-9-19(12)10-4-8-15(20)18-14-7-2-1-6-13(14)17/h1-3,5-7,9H,4,8,10,17H2,(H,18,20)
InChIKeyWYPKJVIHUJGTAP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.36
Rot. Bonds5

About N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide

N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide (PubChem CID 114650377) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide
PubChem CID114650377
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide
SMILESN#Cc1cccn1CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H16N4O/c16-11-12-5-3-9-19(12)10-4-8-15(20)18-14-7-2-1-6-13(14)17/h1-3,5-7,9H,4,8,10,17H2,(H,18,20)
InChIKeyWYPKJVIHUJGTAP-UHFFFAOYSA-N
XLogP2.36
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-cyanopyrrol-1-yl)pentanehydrazide
CID 114655501
N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
CID 82031878
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
CID 28945204
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
1-(4-chlorobutyl)pyrrole-2-carbonitrile
CID 114650701
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide
CID 63312495
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide (CID 114650377) is N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide is N#Cc1cccn1CCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide?
The InChIKey is WYPKJVIHUJGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-11-12-5-3-9-19(12)10-4-8-15(20)18-14-7-2-1-6-13(14)17/h1-3,5-7,9H,4,8,10,17H2,(H,18,20).
What are the key properties of N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide?
N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide has a molecular weight of 268.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide is sourced from PubChem (CID 114650377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).