N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide

C25H31N3O — CID 118304729

IUPACN-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C25H31N3O/c29-25(27-22-11-12-28(17-22)16-19-5-2-1-3-6-19)21-8-4-7-20(13-21)23-14-24(23)26-15-18-9-10-18/h1-8,13,18,22-24,26H,9-12,14-17H2,(H,27,29)
InChIKeyRNCQSLJRFYUMPN-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.55
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide

N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide (PubChem CID 118304729) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
PubChem CID118304729
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C25H31N3O/c29-25(27-22-11-12-28(17-22)16-19-5-2-1-3-6-19)21-8-4-7-20(13-21)23-14-24(23)26-15-18-9-10-18/h1-8,13,18,22-24,26H,9-12,14-17H2,(H,27,29)
InChIKeyRNCQSLJRFYUMPN-UHFFFAOYSA-N
XLogP3.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304068
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3,3-difluorocyclobutyl)benzamide;2,2,2-trifluoroacetic acid
CID 118304417
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
CID 41202634
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
CID 118305065
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide (CID 118304729) is N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide is O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(C2CC2NCC2CC2)c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The InChIKey is RNCQSLJRFYUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-25(27-22-11-12-28(17-22)16-19-5-2-1-3-6-19)21-8-4-7-20(13-21)23-14-24(23)26-15-18-9-10-18/h1-8,13,18,22-24,26H,9-12,14-17H2,(H,27,29).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide?
N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide has a molecular weight of 389.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).