N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide

C16H15N3O2 — CID 62879658

IUPACN-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
SMILESN#Cc1ccc(NC(=O)CCCn2ccc(=O)cc2)cc1
InChIInChI=1S/C16H15N3O2/c17-12-13-3-5-14(6-4-13)18-16(21)2-1-9-19-10-7-15(20)8-11-19/h3-8,10-11H,1-2,9H2,(H,18,21)
InChIKeyIULWLGMNQQNKFG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.14
Rot. Bonds5

About N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide

N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide (PubChem CID 62879658) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
PubChem CID62879658
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
SMILESN#Cc1ccc(NC(=O)CCCn2ccc(=O)cc2)cc1
InChIInChI=1S/C16H15N3O2/c17-12-13-3-5-14(6-4-13)18-16(21)2-1-9-19-10-7-15(20)8-11-19/h3-8,10-11H,1-2,9H2,(H,18,21)
InChIKeyIULWLGMNQQNKFG-UHFFFAOYSA-N
XLogP2.14
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide
CID 43824263
N-(4-cyanophenyl)-4-(3-cyano-1,2,4-triazol-1-yl)butanamide
CID 62951042
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 46797444
N-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 973423
N-(4-cyanophenyl)-4-(1,4-thiazepan-4-yl)butanamide
CID 61419822
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490993
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide (CID 62879658) is N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide is N#Cc1ccc(NC(=O)CCCn2ccc(=O)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide?
The InChIKey is IULWLGMNQQNKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-12-13-3-5-14(6-4-13)18-16(21)2-1-9-19-10-7-15(20)8-11-19/h3-8,10-11H,1-2,9H2,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide?
N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide has a molecular weight of 281.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 62879658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).