2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C19H23N3O — CID 38528042

IUPAC2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c(C)c1
InChIInChI=1S/C19H23N3O/c1-14-5-7-17(15(2)11-14)19(23)21-13-16-6-8-18(20-12-16)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,23)
InChIKeyALEMGLJQQOGREC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.23
Rot. Bonds4

About 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 38528042) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID38528042
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c(C)c1
InChIInChI=1S/C19H23N3O/c1-14-5-7-17(15(2)11-14)19(23)21-13-16-6-8-18(20-12-16)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,23)
InChIKeyALEMGLJQQOGREC-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-methylsulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832353
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482686
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 38528042) is 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ALEMGLJQQOGREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-5-7-17(15(2)11-14)19(23)21-13-16-6-8-18(20-12-16)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 38528042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).