N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide

C15H17N3O — CID 82176966

IUPACN-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H17N3O/c19-15(17-13-7-8-16-11-13)12-3-5-14(6-4-12)18-9-1-2-10-18/h1-6,9-10,13,16H,7-8,11H2,(H,17,19)
InChIKeyGEKLPJFKUDSMBN-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.57
Rot. Bonds3

About N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide

N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide (PubChem CID 82176966) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
PubChem CID82176966
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H17N3O/c19-15(17-13-7-8-16-11-13)12-3-5-14(6-4-12)18-9-1-2-10-18/h1-6,9-10,13,16H,7-8,11H2,(H,17,19)
InChIKeyGEKLPJFKUDSMBN-UHFFFAOYSA-N
XLogP1.57
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-4-pyrrol-1-ylbenzamide
CID 127187403
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
N-piperidin-3-ylbenzamide
CID 22017045
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide (CID 82176966) is N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide is O=C(NC1CCNC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide?
The InChIKey is GEKLPJFKUDSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(17-13-7-8-16-11-13)12-3-5-14(6-4-12)18-9-1-2-10-18/h1-6,9-10,13,16H,7-8,11H2,(H,17,19).
What are the key properties of N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide?
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 82176966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).