N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide

C17H20N2O3 — CID 9269124

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(CNC(=O)CCc2cccnc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-7-5-14(10-16(15)22-2)12-19-17(20)8-6-13-4-3-9-18-11-13/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,19,20)
InChIKeyZWPMLAYLBRCOJP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.35
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 9269124) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID9269124
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(CNC(=O)CCc2cccnc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-7-5-14(10-16(15)22-2)12-19-17(20)8-6-13-4-3-9-18-11-13/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,19,20)
InChIKeyZWPMLAYLBRCOJP-UHFFFAOYSA-N
XLogP2.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide (CID 9269124) is N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide is COc1ccc(CNC(=O)CCc2cccnc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is ZWPMLAYLBRCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-7-5-14(10-16(15)22-2)12-19-17(20)8-6-13-4-3-9-18-11-13/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 9269124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).