N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C19H22ClN5O — CID 171709502

IUPACN-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.Cn1nc2ccc(NC(=O)c3cccc(CC4CCNC4)c3)cc2n1
InChIInChI=1S/C19H21N5O.ClH/c1-24-22-17-6-5-16(11-18(17)23-24)21-19(25)15-4-2-3-13(10-15)9-14-7-8-20-12-14;/h2-6,10-11,14,20H,7-9,12H2,1H3,(H,21,25);1H
InChIKeyZQOADOMJMNEARX-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.79
Rot. Bonds4

About N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171709502) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171709502
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC NameN-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.Cn1nc2ccc(NC(=O)c3cccc(CC4CCNC4)c3)cc2n1
InChIInChI=1S/C19H21N5O.ClH/c1-24-22-17-6-5-16(11-18(17)23-24)21-19(25)15-4-2-3-13(10-15)9-14-7-8-20-12-14;/h2-6,10-11,14,20H,7-9,12H2,1H3,(H,21,25);1H
InChIKeyZQOADOMJMNEARX-UHFFFAOYSA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
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4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
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N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
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3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
[3-(pyrrolidin-3-ylmethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
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methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171709502) is N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is Cl.Cn1nc2ccc(NC(=O)c3cccc(CC4CCNC4)c3)cc2n1.
What is the InChIKey of N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is ZQOADOMJMNEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.ClH/c1-24-22-17-6-5-16(11-18(17)23-24)21-19(25)15-4-2-3-13(10-15)9-14-7-8-20-12-14;/h2-6,10-11,14,20H,7-9,12H2,1H3,(H,21,25);1H.
What are the key properties of N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171709502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).