3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide

C17H21N5O — CID 91342465

IUPAC3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESNCc1cnc(-c2cccc(C(=O)NCC3CCCN3)c2)cn1
InChIInChI=1S/C17H21N5O/c18-8-15-10-21-16(11-20-15)12-3-1-4-13(7-12)17(23)22-9-14-5-2-6-19-14/h1,3-4,7,10-11,14,19H,2,5-6,8-9,18H2,(H,22,23)
InChIKeyQDTBSFRFBGDIHX-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.08
Rot. Bonds5

About 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide

3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 91342465) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID91342465
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESNCc1cnc(-c2cccc(C(=O)NCC3CCCN3)c2)cn1
InChIInChI=1S/C17H21N5O/c18-8-15-10-21-16(11-20-15)12-3-1-4-13(7-12)17(23)22-9-14-5-2-6-19-14/h1,3-4,7,10-11,14,19H,2,5-6,8-9,18H2,(H,22,23)
InChIKeyQDTBSFRFBGDIHX-UHFFFAOYSA-N
XLogP1.08
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692
3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 121367800
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
CID 110257586
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 91342465) is 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide is NCc1cnc(-c2cccc(C(=O)NCC3CCCN3)c2)cn1.
What is the InChIKey of 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is QDTBSFRFBGDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-8-15-10-21-16(11-20-15)12-3-1-4-13(7-12)17(23)22-9-14-5-2-6-19-14/h1,3-4,7,10-11,14,19H,2,5-6,8-9,18H2,(H,22,23).
What are the key properties of 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 91342465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).