4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride

C16H25ClN4O2 — CID 120772509

IUPAC4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
SMILESCC1(CN)CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-16(10-17)7-9-20(11-16)8-6-14(21)19-13-4-2-12(3-5-13)15(18)22;/h2-5H,6-11,17H2,1H3,(H2,18,22)(H,19,21);1H
InChIKeyQLNPPPBNQYJWHQ-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.21
Rot. Bonds6

About 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride

4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride (PubChem CID 120772509) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
PubChem CID120772509
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
SMILESCC1(CN)CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-16(10-17)7-9-20(11-16)8-6-14(21)19-13-4-2-12(3-5-13)15(18)22;/h2-5H,6-11,17H2,1H3,(H2,18,22)(H,19,21);1H
InChIKeyQLNPPPBNQYJWHQ-UHFFFAOYSA-N
XLogP1.21
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-butan-2-ylphenyl)acetamide;hydrochloride
CID 120772283
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103356209
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide;hydrochloride
CID 120773821
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
CID 120772694

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride?
The IUPAC name of 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride (CID 120772509) is 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride is CC1(CN)CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1.Cl.
What is the InChIKey of 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride?
The InChIKey is QLNPPPBNQYJWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-16(10-17)7-9-20(11-16)8-6-14(21)19-13-4-2-12(3-5-13)15(18)22;/h2-5H,6-11,17H2,1H3,(H2,18,22)(H,19,21);1H.
What are the key properties of 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride?
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 120772509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).