N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide

C17H19N3O — CID 166683376

IUPACN-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide
SMILESCNC(=O)c1cc(-c2ccncc2)ccc1N1CCCC1
InChIInChI=1S/C17H19N3O/c1-18-17(21)15-12-14(13-6-8-19-9-7-13)4-5-16(15)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyPDSSRUPCPVUZPB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide

N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 166683376) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID166683376
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide
SMILESCNC(=O)c1cc(-c2ccncc2)ccc1N1CCCC1
InChIInChI=1S/C17H19N3O/c1-18-17(21)15-12-14(13-6-8-19-9-7-13)4-5-16(15)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyPDSSRUPCPVUZPB-UHFFFAOYSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932
5-amino-2-(azepan-1-yl)-N-methylbenzamide
CID 100651466
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-nitro-2-piperidin-1-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775617
5-nitro-2-piperidin-1-yl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585930
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
3-(azetidin-1-yl)-4-(methylcarbamoyl)benzoic acid
CID 71019621
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-nitrobenzamide
CID 133499059
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide (CID 166683376) is N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide is CNC(=O)c1cc(-c2ccncc2)ccc1N1CCCC1.
What is the InChIKey of N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is PDSSRUPCPVUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-17(21)15-12-14(13-6-8-19-9-7-13)4-5-16(15)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,21).
What are the key properties of N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide?
N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyridin-4-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 166683376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).