N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide

C15H14N4O2 — CID 63768672

IUPACN-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
SMILESN#Cc1cccc(NC(=O)CCCn2cnccc2=O)c1
InChIInChI=1S/C15H14N4O2/c16-10-12-3-1-4-13(9-12)18-14(20)5-2-8-19-11-17-7-6-15(19)21/h1,3-4,6-7,9,11H,2,5,8H2,(H,18,20)
InChIKeyNADMYUBWQLNCIY-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.53
Rot. Bonds5

About N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide

N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide (PubChem CID 63768672) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
PubChem CID63768672
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
SMILESN#Cc1cccc(NC(=O)CCCn2cnccc2=O)c1
InChIInChI=1S/C15H14N4O2/c16-10-12-3-1-4-13(9-12)18-14(20)5-2-8-19-11-17-7-6-15(19)21/h1,3-4,6-7,9,11H,2,5,8H2,(H,18,20)
InChIKeyNADMYUBWQLNCIY-UHFFFAOYSA-N
XLogP1.53
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
CID 63767929
N-(3-cyanophenyl)octanamide
CID 4958584
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
3-[2-(6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63768674
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825
N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830816
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-(3-cyanophenyl)-1-[4-[5-[(3-cyanophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497566
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide (CID 63768672) is N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide is N#Cc1cccc(NC(=O)CCCn2cnccc2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
The InChIKey is NADMYUBWQLNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-10-12-3-1-4-13(9-12)18-14(20)5-2-8-19-11-17-7-6-15(19)21/h1,3-4,6-7,9,11H,2,5,8H2,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide has a molecular weight of 282.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 63768672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).