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

C17H18N6O3 — CID 91795809

IUPAC2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)c(OC)n1
InChIInChI=1S/C17H18N6O3/c1-23(17(24)13-7-8-14(25-2)18-16(13)26-3)10-11-5-4-6-12(9-11)15-19-21-22-20-15/h4-9H,10H2,1-3H3,(H,19,20,21,22)
InChIKeySTHBKAMLZSTWCI-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.55
Rot. Bonds6

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

2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 91795809) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID91795809
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)c(OC)n1
InChIInChI=1S/C17H18N6O3/c1-23(17(24)13-7-8-14(25-2)18-16(13)26-3)10-11-5-4-6-12(9-11)15-19-21-22-20-15/h4-9H,10H2,1-3H3,(H,19,20,21,22)
InChIKeySTHBKAMLZSTWCI-UHFFFAOYSA-N
XLogP1.55
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 91771867
N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 90649019
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 91777143
N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
CID 134803411
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 90651564
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086
N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 70802934
(3S)-N-methyl-3-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]butan-1-amine
CID 99939871
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
CID 154902918
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide (CID 91795809) is 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is STHBKAMLZSTWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-23(17(24)13-7-8-14(25-2)18-16(13)26-3)10-11-5-4-6-12(9-11)15-19-21-22-20-15/h4-9H,10H2,1-3H3,(H,19,20,21,22).
What are the key properties of 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide?
2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).