5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide

C13H18N6O — CID 82012333

IUPAC5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
SMILESCC(CN)CCC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H18N6O/c1-10(8-14)5-6-13(20)16-11-3-2-4-12(7-11)19-9-15-17-18-19/h2-4,7,9-10H,5-6,8,14H2,1H3,(H,16,20)
InChIKeyNEIDGURGROJEHN-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.98
Rot. Bonds6

About 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide

5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide (PubChem CID 82012333) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
PubChem CID82012333
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
SMILESCC(CN)CCC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H18N6O/c1-10(8-14)5-6-13(20)16-11-3-2-4-12(7-11)19-9-15-17-18-19/h2-4,7,9-10H,5-6,8,14H2,1H3,(H,16,20)
InChIKeyNEIDGURGROJEHN-UHFFFAOYSA-N
XLogP0.98
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
methyl 3-[(5-amino-4-methylpentanoyl)amino]benzoate
CID 82012045
3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 119053119
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide (CID 82012333) is 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide is CC(CN)CCC(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide?
The InChIKey is NEIDGURGROJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10(8-14)5-6-13(20)16-11-3-2-4-12(7-11)19-9-15-17-18-19/h2-4,7,9-10H,5-6,8,14H2,1H3,(H,16,20).
What are the key properties of 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide?
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide has a molecular weight of 274.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 82012333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).