2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

C19H23N3O2 — CID 38528215

IUPAC2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-24-17-6-4-5-15(11-17)12-19(23)21-14-16-7-8-18(20-13-16)22-9-2-3-10-22/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,21,23)
InChIKeyFMGAUSCQYKLCQT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.55
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 38528215) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID38528215
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-24-17-6-4-5-15(11-17)12-19(23)21-14-16-7-8-18(20-13-16)22-9-2-3-10-22/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,21,23)
InChIKeyFMGAUSCQYKLCQT-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36505121
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111250858
1-benzyl-3-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 38528549
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
N-[(3,5-dimethoxyphenyl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030650

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (CID 38528215) is 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is COc1cccc(CC(=O)NCc2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is FMGAUSCQYKLCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-6-4-5-15(11-17)12-19(23)21-14-16-7-8-18(20-13-16)22-9-2-3-10-22/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,21,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 38528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).