5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide

C19H20N6O2 — CID 120637506

IUPAC5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(N)ccc2C)cc1-n1nnnc1C1CC1
InChIInChI=1S/C19H20N6O2/c1-11-3-6-13(20)9-15(11)19(26)21-14-7-8-17(27-2)16(10-14)25-18(12-4-5-12)22-23-24-25/h3,6-10,12H,4-5,20H2,1-2H3,(H,21,26)
InChIKeyJQTIQAVMRIDFGL-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds5

About 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide

5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide (PubChem CID 120637506) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
PubChem CID120637506
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(N)ccc2C)cc1-n1nnnc1C1CC1
InChIInChI=1S/C19H20N6O2/c1-11-3-6-13(20)9-15(11)19(26)21-14-7-8-17(27-2)16(10-14)25-18(12-4-5-12)22-23-24-25/h3,6-10,12H,4-5,20H2,1-2H3,(H,21,26)
InChIKeyJQTIQAVMRIDFGL-UHFFFAOYSA-N
XLogP2.69
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 71858611
4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
CID 119340060
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119812407
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766640
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766638
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide (CID 120637506) is 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide is COc1ccc(NC(=O)c2cc(N)ccc2C)cc1-n1nnnc1C1CC1.
What is the InChIKey of 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide?
The InChIKey is JQTIQAVMRIDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-3-6-13(20)9-15(11)19(26)21-14-7-8-17(27-2)16(10-14)25-18(12-4-5-12)22-23-24-25/h3,6-10,12H,4-5,20H2,1-2H3,(H,21,26).
What are the key properties of 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide?
5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 120637506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).