4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C19H23N3O — CID 38528026

IUPAC4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCCc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C19H23N3O/c1-2-15-5-8-17(9-6-15)19(23)21-14-16-7-10-18(20-13-16)22-11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,23)
InChIKeyJQFDMHAVAFDDTB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.17
Rot. Bonds5

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

4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 38528026) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID38528026
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCCc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C19H23N3O/c1-2-15-5-8-17(9-6-15)19(23)21-14-16-7-10-18(20-13-16)22-11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,23)
InChIKeyJQFDMHAVAFDDTB-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 37481999
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482686

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 38528026) is 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is CCc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is JQFDMHAVAFDDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-15-5-8-17(9-6-15)19(23)21-14-16-7-10-18(20-13-16)22-11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,23).
What are the key properties of 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 38528026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).