N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C19H22N6O3 — CID 70269386

IUPACN-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCOCCCOc1cccc(CNC(=O)c2cc(-c3nn[nH]n3)cc(C)n2)c1
InChIInChI=1S/C19H22N6O3/c1-13-9-15(18-22-24-25-23-18)11-17(21-13)19(26)20-12-14-5-3-6-16(10-14)28-8-4-7-27-2/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,20,26)(H,22,23,24,25)
InChIKeyCBOFJFQBLSXFNW-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.92
Rot. Bonds9

About N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide

N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 70269386) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID70269386
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCOCCCOc1cccc(CNC(=O)c2cc(-c3nn[nH]n3)cc(C)n2)c1
InChIInChI=1S/C19H22N6O3/c1-13-9-15(18-22-24-25-23-18)11-17(21-13)19(26)20-12-14-5-3-6-16(10-14)28-8-4-7-27-2/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,20,26)(H,22,23,24,25)
InChIKeyCBOFJFQBLSXFNW-UHFFFAOYSA-N
XLogP1.92
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide 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

6-N-[(4-isocyanophenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide;4-N-[(3-methoxyphenyl)methyl]-6-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 162153529
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
4-[2-[[(1R,3S)-3-(hydroxymethyl)cyclopentyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70270410
4-[2-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268532
4-[2-[[4-(acetamidomethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268549
6-N-[[3-(difluoromethoxy)phenyl]methyl]-4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine-4,6-dicarboxamide
CID 25005748
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
3-[[5-[2-[(3-methoxyphenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]piperidine-1-carboxylic acid
CID 68748000
4-[2-[[(1R,3R)-3-[(2-aminoacetyl)amino]cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 68775653

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 70269386) is N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide is COCCCOc1cccc(CNC(=O)c2cc(-c3nn[nH]n3)cc(C)n2)c1.
What is the InChIKey of N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is CBOFJFQBLSXFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-9-15(18-22-24-25-23-18)11-17(21-13)19(26)20-12-14-5-3-6-16(10-14)28-8-4-7-27-2/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,20,26)(H,22,23,24,25).
What are the key properties of N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 70269386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).