N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide

C13H16N6O — CID 119453289

IUPACN-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC1CCNC1
InChIInChI=1S/C13H16N6O/c20-13(16-11-5-6-14-8-11)7-10-1-3-12(4-2-10)19-9-15-17-18-19/h1-4,9,11,14H,5-8H2,(H,16,20)
InChIKeyNALTYBDLSUDOEY-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.32
Rot. Bonds4

About N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 119453289) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID119453289
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC1CCNC1
InChIInChI=1S/C13H16N6O/c20-13(16-11-5-6-14-8-11)7-10-1-3-12(4-2-10)19-9-15-17-18-19/h1-4,9,11,14H,5-8H2,(H,16,20)
InChIKeyNALTYBDLSUDOEY-UHFFFAOYSA-N
XLogP-0.32
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 120555808
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133138790
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95139320
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 120656068
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 120656067
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 119453289) is N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is NALTYBDLSUDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(16-11-5-6-14-8-11)7-10-1-3-12(4-2-10)19-9-15-17-18-19/h1-4,9,11,14H,5-8H2,(H,16,20).
What are the key properties of N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 272.31 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 119453289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).