2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide

C14H20N6O — CID 96523879

IUPAC2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C14H20N6O/c1-8(2)10(4)15-12-7-5-6-11(9(12)3)13(21)16-14-17-19-20-18-14/h5-8,10,15H,1-4H3,(H2,16,17,18,19,20,21)/t10-/m0/s1
InChIKeyFUHDVSMBXMLPGX-JTQLQIEISA-N
MW288.36 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide

2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 96523879) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID96523879
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C14H20N6O/c1-8(2)10(4)15-12-7-5-6-11(9(12)3)13(21)16-14-17-19-20-18-14/h5-8,10,15H,1-4H3,(H2,16,17,18,19,20,21)/t10-/m0/s1
InChIKeyFUHDVSMBXMLPGX-JTQLQIEISA-N
XLogP2.22
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide 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

1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
CID 95636343
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
3-methyl-2-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267889
N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119497813
2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119432416
CID 70476554
CID 70476554
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 120883642
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 12962786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide (CID 96523879) is 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide is Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FUHDVSMBXMLPGX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N6O/c1-8(2)10(4)15-12-7-5-6-11(9(12)3)13(21)16-14-17-19-20-18-14/h5-8,10,15H,1-4H3,(H2,16,17,18,19,20,21)/t10-/m0/s1.
What are the key properties of 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide?
2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 288.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 96523879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).