N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide

C17H18FN7O3 — CID 156587114

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
SMILESCn1c(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H18FN7O3/c1-23-13(10-15(27)24(2)17(23)28)19-14(26)4-3-9-25-21-16(20-22-25)11-5-7-12(18)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,26)
InChIKeyVGPPVFAAZVWOEA-UHFFFAOYSA-N
MW387.38 g/mol
LogP0.30
Rot. Bonds6

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide (PubChem CID 156587114) has the molecular formula C17H18FN7O3 and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
PubChem CID156587114
Molecular FormulaC17H18FN7O3
Molecular Weight387.38 g/mol
Exact Mass387.15
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
SMILESCn1c(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H18FN7O3/c1-23-13(10-15(27)24(2)17(23)28)19-14(26)4-3-9-25-21-16(20-22-25)11-5-7-12(18)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,26)
InChIKeyVGPPVFAAZVWOEA-UHFFFAOYSA-N
XLogP0.30
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
CID 135095450
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
CID 163318125
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 124757424
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
CID 2148511
1-(4-fluorophenyl)-4-[5-(4-nitrophenyl)tetrazol-2-yl]butan-1-one
CID 3859599
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-4-[5-(4-fluorophenyl)tetrazol-2-yl]butan-1-one
CID 133125539
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide (CID 156587114) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide is Cn1c(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
The InChIKey is VGPPVFAAZVWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O3/c1-23-13(10-15(27)24(2)17(23)28)19-14(26)4-3-9-25-21-16(20-22-25)11-5-7-12(18)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,26).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide has a molecular weight of 387.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide is sourced from PubChem (CID 156587114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).