2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

C14H13N7O3 — CID 26124104

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C14H13N7O3/c1-20-13(17-18-19-20)9-3-2-4-10(7-9)15-12(23)8-21-6-5-11(22)16-14(21)24/h2-7H,8H2,1H3,(H,15,23)(H,16,22,24)
InChIKeyKIOHCDJBNLZFNG-UHFFFAOYSA-N
MW327.30 g/mol
LogP-0.63
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 26124104) has the molecular formula C14H13N7O3 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID26124104
Molecular FormulaC14H13N7O3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C14H13N7O3/c1-20-13(17-18-19-20)9-3-2-4-10(7-9)15-12(23)8-21-6-5-11(22)16-14(21)24/h2-7H,8H2,1H3,(H,15,23)(H,16,22,24)
InChIKeyKIOHCDJBNLZFNG-UHFFFAOYSA-N
XLogP-0.63
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063513
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26123101

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (CID 26124104) is 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnnc1-c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is KIOHCDJBNLZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O3/c1-20-13(17-18-19-20)9-3-2-4-10(7-9)15-12(23)8-21-6-5-11(22)16-14(21)24/h2-7H,8H2,1H3,(H,15,23)(H,16,22,24).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 327.30 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 26124104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).