2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C19H23N3O3 — CID 37482299

IUPAC2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-6-7-17(25-2)16(11-15)19(23)21-13-14-5-8-18(20-12-14)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,23)
InChIKeyZTLGQEAZGMKYLX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.63
Rot. Bonds6

About 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 37482299) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID37482299
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-6-7-17(25-2)16(11-15)19(23)21-13-14-5-8-18(20-12-14)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,23)
InChIKeyZTLGQEAZGMKYLX-UHFFFAOYSA-N
XLogP2.63
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36505121
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
1-benzyl-3-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 38528549
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111201127

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 37482299) is 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is COc1ccc(OC)c(C(=O)NCc2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ZTLGQEAZGMKYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-15-6-7-17(25-2)16(11-15)19(23)21-13-14-5-8-18(20-12-14)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 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 37482299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).