N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide

C9H10N6O — CID 110496431

IUPACN-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCc1cccnc1
InChIInChI=1S/C9H10N6O/c16-9(4-8-12-14-15-13-8)11-6-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,16)(H,12,13,14,15)
InChIKeyXLWHASUKAUGFCG-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.55
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide

N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496431) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496431
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC NameN-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCc1cccnc1
InChIInChI=1S/C9H10N6O/c16-9(4-8-12-14-15-13-8)11-6-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,16)(H,12,13,14,15)
InChIKeyXLWHASUKAUGFCG-UHFFFAOYSA-N
XLogP-0.55
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 154862718
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110496431) is N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is XLWHASUKAUGFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c16-9(4-8-12-14-15-13-8)11-6-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 218.22 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).