3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide

C16H15N7O2 — CID 69047739

IUPAC3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide
SMILESNC(=O)Cc1cccc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)c1
InChIInChI=1S/C16H15N7O2/c17-14(24)7-10-2-1-3-11(6-10)16(25)19-9-13-5-4-12(8-18-13)15-20-22-23-21-15/h1-6,8H,7,9H2,(H2,17,24)(H,19,25)(H,20,21,22,23)
InChIKeyUWVSWUOEXLYRHZ-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.22
Rot. Bonds6

About 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide

3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide (PubChem CID 69047739) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide
PubChem CID69047739
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide
SMILESNC(=O)Cc1cccc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)c1
InChIInChI=1S/C16H15N7O2/c17-14(24)7-10-2-1-3-11(6-10)16(25)19-9-13-5-4-12(8-18-13)15-20-22-23-21-15/h1-6,8H,7,9H2,(H2,17,24)(H,19,25)(H,20,21,22,23)
InChIKeyUWVSWUOEXLYRHZ-UHFFFAOYSA-N
XLogP0.22
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide (CID 69047739) is 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide is NC(=O)Cc1cccc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)c1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide?
The InChIKey is UWVSWUOEXLYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c17-14(24)7-10-2-1-3-11(6-10)16(25)19-9-13-5-4-12(8-18-13)15-20-22-23-21-15/h1-6,8H,7,9H2,(H2,17,24)(H,19,25)(H,20,21,22,23).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide?
3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide has a molecular weight of 337.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-[[5-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 69047739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).