N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide

C16H13ClN8O2 — CID 10407709

IUPACN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide
SMILES[H]/N=c1\ccc(C#N)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)n1O
InChIInChI=1S/C16H13ClN8O2/c17-12-2-3-13(24-9-21-22-23-24)11(5-12)8-20-16(26)6-14-10(7-18)1-4-15(19)25(14)27/h1-5,9,19,27H,6,8H2,(H,20,26)/b19-15+
InChIKeyBHFAWBRYBISYAT-XDJHFCHBSA-N
MW384.79 g/mol
LogP0.56
Rot. Bonds5

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide (PubChem CID 10407709) has the molecular formula C16H13ClN8O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide
PubChem CID10407709
Molecular FormulaC16H13ClN8O2
Molecular Weight384.79 g/mol
Exact Mass384.08
IUPAC NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide
SMILES[H]/N=c1\ccc(C#N)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)n1O
InChIInChI=1S/C16H13ClN8O2/c17-12-2-3-13(24-9-21-22-23-24)11(5-12)8-20-16(26)6-14-10(7-18)1-4-15(19)25(14)27/h1-5,9,19,27H,6,8H2,(H,20,26)/b19-15+
InChIKeyBHFAWBRYBISYAT-XDJHFCHBSA-N
XLogP0.56
TPSA145.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
CID 10029817
2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
CID 10385934
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 146914182
N-(5-Chloro-2-tetrazol-1-yl-benzyl)-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-1-oxy-pyridin-2-yl]-acetamide
CID 91934633
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[3-(cyclopropylmethylamino)propylamino]-2-oxopyrazin-1-yl]acetamide
CID 10116199
2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 10453166
2-bromo-N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]acetamide
CID 21866240
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[3-(cyclopropylmethylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;hydrochloride
CID 22185156
2-(6-amino-3-cyano-1-hydroxypyridin-1-ium-2-yl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
CID 59088781
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
CID 68844111
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide
CID 68928918
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[3-[cyclopropyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]acetamide;hydrochloride
CID 69590148

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide?
The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide (CID 10407709) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide.
What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide?
The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide is [H]/N=c1\ccc(C#N)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)n1O.
What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide?
The InChIKey is BHFAWBRYBISYAT-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H13ClN8O2/c17-12-2-3-13(24-9-21-22-23-24)11(5-12)8-20-16(26)6-14-10(7-18)1-4-15(19)25(14)27/h1-5,9,19,27H,6,8H2,(H,20,26)/b19-15+.
What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide?
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide has a molecular weight of 384.79 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-(3-cyano-1-hydroxy-6-imino-2-pyridinyl)acetamide is sourced from PubChem (CID 10407709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).