N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride

C15H20ClN5O2 — CID 120604073

IUPACN-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
SMILESCc1cc(CC(=O)Nc2ccccc2C(=O)NCCN)n[nH]1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-10-8-11(20-19-10)9-14(21)18-13-5-3-2-4-12(13)15(22)17-7-6-16;/h2-5,8H,6-7,9,16H2,1H3,(H,17,22)(H,18,21)(H,19,20);1H
InChIKeyUUHRSQFRXKHGQS-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.01
Rot. Bonds6

About N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride (PubChem CID 120604073) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
PubChem CID120604073
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
SMILESCc1cc(CC(=O)Nc2ccccc2C(=O)NCCN)n[nH]1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-10-8-11(20-19-10)9-14(21)18-13-5-3-2-4-12(13)15(22)17-7-6-16;/h2-5,8H,6-7,9,16H2,1H3,(H,17,22)(H,18,21)(H,19,20);1H
InChIKeyUUHRSQFRXKHGQS-UHFFFAOYSA-N
XLogP1.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
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N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
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N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
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N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75432261

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride (CID 120604073) is N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride is Cc1cc(CC(=O)Nc2ccccc2C(=O)NCCN)n[nH]1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride?
The InChIKey is UUHRSQFRXKHGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-10-8-11(20-19-10)9-14(21)18-13-5-3-2-4-12(13)15(22)17-7-6-16;/h2-5,8H,6-7,9,16H2,1H3,(H,17,22)(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120604073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).