2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide

C19H23N3O2 — CID 75370672

IUPAC2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccnc1)CC1OCCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-22(14-19(23)21-12-15-5-4-9-20-11-15)13-18-17-7-3-2-6-16(17)8-10-24-18/h2-7,9,11,18H,8,10,12-14H2,1H3,(H,21,23)
InChIKeyVBCUQFFFSFBKRV-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.94
Rot. Bonds6

About 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide

2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 75370672) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID75370672
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccnc1)CC1OCCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-22(14-19(23)21-12-15-5-4-9-20-11-15)13-18-17-7-3-2-6-16(17)8-10-24-18/h2-7,9,11,18H,8,10,12-14H2,1H3,(H,21,23)
InChIKeyVBCUQFFFSFBKRV-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
methyl 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]acetate
CID 62737324
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 95284325
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509693
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide
CID 75371773
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 71988848
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
(1R)-2-acetyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95101655
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 99106879
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 97082428

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 75370672) is 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide is CN(CC(=O)NCc1cccnc1)CC1OCCc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VBCUQFFFSFBKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(14-19(23)21-12-15-5-4-9-20-11-15)13-18-17-7-3-2-6-16(17)8-10-24-18/h2-7,9,11,18H,8,10,12-14H2,1H3,(H,21,23).
What are the key properties of 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 75370672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).