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

C14H16N4O2 — CID 63767929

IUPACN-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
SMILESNc1cccc(NC(=O)CCCn2cnccc2=O)c1
InChIInChI=1S/C14H16N4O2/c15-11-3-1-4-12(9-11)17-13(19)5-2-8-18-10-16-7-6-14(18)20/h1,3-4,6-7,9-10H,2,5,8,15H2,(H,17,19)
InChIKeyLPPVCGGXABCLLC-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.24
Rot. Bonds5

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

N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide (PubChem CID 63767929) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
PubChem CID63767929
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
SMILESNc1cccc(NC(=O)CCCn2cnccc2=O)c1
InChIInChI=1S/C14H16N4O2/c15-11-3-1-4-12(9-11)17-13(19)5-2-8-18-10-16-7-6-14(18)20/h1,3-4,6-7,9-10H,2,5,8,15H2,(H,17,19)
InChIKeyLPPVCGGXABCLLC-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
CID 63768672
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)butanamide
CID 62490976
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-(3-aminophenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697630
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-aminophenyl)-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 62896958

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide (CID 63767929) is N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide is Nc1cccc(NC(=O)CCCn2cnccc2=O)c1.
What is the InChIKey of N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
The InChIKey is LPPVCGGXABCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-3-1-4-12(9-11)17-13(19)5-2-8-18-10-16-7-6-14(18)20/h1,3-4,6-7,9-10H,2,5,8,15H2,(H,17,19).
What are the key properties of N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide?
N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide has a molecular weight of 272.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 63767929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).