N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C18H20N6O2 — CID 90652631

IUPACN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCc1cccc(=O)n1CCCNC(=O)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C18H20N6O2/c1-14-7-5-10-16(25)23(14)12-6-11-19-18(26)17(24-13-20-21-22-24)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,19,26)
InChIKeyBCPWCFDOGDTBLG-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.94
Rot. Bonds7

About N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 90652631) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID90652631
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCc1cccc(=O)n1CCCNC(=O)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C18H20N6O2/c1-14-7-5-10-16(25)23(14)12-6-11-19-18(26)17(24-13-20-21-22-24)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,19,26)
InChIKeyBCPWCFDOGDTBLG-UHFFFAOYSA-N
XLogP0.94
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
2-(4-chloropyrazol-1-yl)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
CID 119071964
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71829507
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 90652631) is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is Cc1cccc(=O)n1CCCNC(=O)C(c1ccccc1)n1cnnn1.
What is the InChIKey of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is BCPWCFDOGDTBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-14-7-5-10-16(25)23(14)12-6-11-19-18(26)17(24-13-20-21-22-24)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,19,26).
What are the key properties of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 352.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 90652631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).