N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide

C16H16N6O3 — CID 163314802

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(-c2ccc(C(=O)NCC(O)c3cccc(=O)[nH]3)cc2)n1
InChIInChI=1S/C16H16N6O3/c1-22-20-15(19-21-22)10-5-7-11(8-6-10)16(25)17-9-13(23)12-3-2-4-14(24)18-12/h2-8,13,23H,9H2,1H3,(H,17,25)(H,18,24)
InChIKeyZERSPCRFDGOYOE-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.03
Rot. Bonds5

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide (PubChem CID 163314802) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
PubChem CID163314802
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(-c2ccc(C(=O)NCC(O)c3cccc(=O)[nH]3)cc2)n1
InChIInChI=1S/C16H16N6O3/c1-22-20-15(19-21-22)10-5-7-11(8-6-10)16(25)17-9-13(23)12-3-2-4-14(24)18-12/h2-8,13,23H,9H2,1H3,(H,17,25)(H,18,24)
InChIKeyZERSPCRFDGOYOE-UHFFFAOYSA-N
XLogP0.03
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide (CID 163314802) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(-c2ccc(C(=O)NCC(O)c3cccc(=O)[nH]3)cc2)n1.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is ZERSPCRFDGOYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-22-20-15(19-21-22)10-5-7-11(8-6-10)16(25)17-9-13(23)12-3-2-4-14(24)18-12/h2-8,13,23H,9H2,1H3,(H,17,25)(H,18,24).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 340.34 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 163314802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).