N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide

C16H16N6O2 — CID 75432089

IUPACN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(Cn2cccc(NC(=O)Cn3cnnn3)c2=O)cc1
InChIInChI=1S/C16H16N6O2/c1-12-4-6-13(7-5-12)9-21-8-2-3-14(16(21)24)18-15(23)10-22-11-17-19-20-22/h2-8,11H,9-10H2,1H3,(H,18,23)
InChIKeyJWUXKMUGNJQQNQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.83
Rot. Bonds5

About N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide

N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 75432089) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
PubChem CID75432089
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(Cn2cccc(NC(=O)Cn3cnnn3)c2=O)cc1
InChIInChI=1S/C16H16N6O2/c1-12-4-6-13(7-5-12)9-21-8-2-3-14(16(21)24)18-15(23)10-22-11-17-19-20-22/h2-8,11H,9-10H2,1H3,(H,18,23)
InChIKeyJWUXKMUGNJQQNQ-UHFFFAOYSA-N
XLogP0.83
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-2-oxo-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 71856302
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide
CID 138993121
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
CID 71910292
N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
CID 167814290
3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
CID 154780300
2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide
CID 50975042
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
cis-(1S,3R)-2,2-dimethyl-3-[[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066426
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
CID 6488641
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide (CID 75432089) is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide is Cc1ccc(Cn2cccc(NC(=O)Cn3cnnn3)c2=O)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is JWUXKMUGNJQQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-12-4-6-13(7-5-12)9-21-8-2-3-14(16(21)24)18-15(23)10-22-11-17-19-20-22/h2-8,11H,9-10H2,1H3,(H,18,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide?
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 75432089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).