N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide

C17H18N6O2 — CID 134813273

IUPACN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccn2)cc1-n1nnnc1C
InChIInChI=1S/C17H18N6O2/c1-12-20-21-22-23(12)15-11-14(6-8-16(15)25-2)19-17(24)9-7-13-5-3-4-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,24)
InChIKeyUHOCVWWCIYJKQO-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.95
Rot. Bonds6

About N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide (PubChem CID 134813273) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
PubChem CID134813273
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccn2)cc1-n1nnnc1C
InChIInChI=1S/C17H18N6O2/c1-12-20-21-22-23(12)15-11-14(6-8-16(15)25-2)19-17(24)9-7-13-5-3-4-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,24)
InChIKeyUHOCVWWCIYJKQO-UHFFFAOYSA-N
XLogP1.95
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-(oxolan-3-yl)acetamide
CID 136527239
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide (CID 134813273) is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide is COc1ccc(NC(=O)CCc2ccccn2)cc1-n1nnnc1C.
What is the InChIKey of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is UHOCVWWCIYJKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-20-21-22-23(12)15-11-14(6-8-16(15)25-2)19-17(24)9-7-13-5-3-4-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,24).
What are the key properties of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide?
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 338.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 134813273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).