N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide

C9H9ClN6O — CID 107301047

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(Cl)ccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C9H9ClN6O/c1-6-7(2-3-8(10)12-6)13-9(17)4-16-5-11-14-15-16/h2-3,5H,4H2,1H3,(H,13,17)
InChIKeyLJSITNDAYHSWNK-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.67
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide

N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 107301047) has the molecular formula C9H9ClN6O and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
PubChem CID107301047
Molecular FormulaC9H9ClN6O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(Cl)ccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C9H9ClN6O/c1-6-7(2-3-8(10)12-6)13-9(17)4-16-5-11-14-15-16/h2-3,5H,4H2,1H3,(H,13,17)
InChIKeyLJSITNDAYHSWNK-UHFFFAOYSA-N
XLogP0.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-(6-chloropyrazin-2-yl)-2-(tetrazol-1-yl)acetamide
CID 115599406
N-(4,5-dichloro-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 75448206
N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide
CID 86782318
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
CID 94801495
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid
CID 78980899
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 60531739
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 75432089

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide (CID 107301047) is N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide is Cc1nc(Cl)ccc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is LJSITNDAYHSWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O/c1-6-7(2-3-8(10)12-6)13-9(17)4-16-5-11-14-15-16/h2-3,5H,4H2,1H3,(H,13,17).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide?
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 252.66 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 107301047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).