3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide

C18H21N3O — CID 90621378

IUPAC3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccccn3)C2)cc1C
InChIInChI=1S/C18H21N3O/c1-13-6-7-15(11-14(13)2)18(22)20-16-8-10-21(12-16)17-5-3-4-9-19-17/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,20,22)
InChIKeyVCNKFKHUXZQQTE-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.71
Rot. Bonds3

About 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide

3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 90621378) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
PubChem CID90621378
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccccn3)C2)cc1C
InChIInChI=1S/C18H21N3O/c1-13-6-7-15(11-14(13)2)18(22)20-16-8-10-21(12-16)17-5-3-4-9-19-17/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,20,22)
InChIKeyVCNKFKHUXZQQTE-UHFFFAOYSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
2-methyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875636
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
CID 55776583
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide (CID 90621378) is 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCN(c3ccccn3)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is VCNKFKHUXZQQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-7-15(11-14(13)2)18(22)20-16-8-10-21(12-16)17-5-3-4-9-19-17/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,20,22).
What are the key properties of 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide?
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 295.39 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 3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 90621378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).