4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide

C19H20N6O2 — CID 119340060

IUPAC4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1-n1nnnc1C1CC1
InChIInChI=1S/C19H20N6O2/c1-27-17-9-8-15(21-19(26)14-4-2-12(11-20)3-5-14)10-16(17)25-18(13-6-7-13)22-23-24-25/h2-5,8-10,13H,6-7,11,20H2,1H3,(H,21,26)
InChIKeyUOINYFCTVUGCBU-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.26
Rot. Bonds6

About 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide

4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide (PubChem CID 119340060) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
PubChem CID119340060
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1-n1nnnc1C1CC1
InChIInChI=1S/C19H20N6O2/c1-27-17-9-8-15(21-19(26)14-4-2-12(11-20)3-5-14)10-16(17)25-18(13-6-7-13)22-23-24-25/h2-5,8-10,13H,6-7,11,20H2,1H3,(H,21,26)
InChIKeyUOINYFCTVUGCBU-UHFFFAOYSA-N
XLogP2.26
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
CID 120637506
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 71858611
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119812407
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-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766640
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-(oxolan-3-yl)acetamide
CID 136527239

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide (CID 119340060) is 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccc(CN)cc2)cc1-n1nnnc1C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide?
The InChIKey is UOINYFCTVUGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-17-9-8-15(21-19(26)14-4-2-12(11-20)3-5-14)10-16(17)25-18(13-6-7-13)22-23-24-25/h2-5,8-10,13H,6-7,11,20H2,1H3,(H,21,26).
What are the key properties of 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide?
4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 119340060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).