1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide

C17H21N3O — CID 80563001

IUPAC1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCNC1)c1cccn1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c21-17(19-12-15-8-9-18-11-15)16-7-4-10-20(16)13-14-5-2-1-3-6-14/h1-7,10,15,18H,8-9,11-13H2,(H,19,21)
InChIKeyGYYTYFSIJSUJKQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.88
Rot. Bonds5

About 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide

1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 80563001) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID80563001
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCNC1)c1cccn1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c21-17(19-12-15-8-9-18-11-15)16-7-4-10-20(16)13-14-5-2-1-3-6-14/h1-7,10,15,18H,8-9,11-13H2,(H,19,21)
InChIKeyGYYTYFSIJSUJKQ-UHFFFAOYSA-N
XLogP1.88
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-3-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610544
1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80564395
1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 86936385
1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
CID 62665454
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 126773827
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide (CID 80563001) is 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide is O=C(NCC1CCNC1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GYYTYFSIJSUJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(19-12-15-8-9-18-11-15)16-7-4-10-20(16)13-14-5-2-1-3-6-14/h1-7,10,15,18H,8-9,11-13H2,(H,19,21).
What are the key properties of 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 80563001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).