2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide

C19H23N3O2 — CID 71844910

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
SMILESCCCOc1ncccc1CNC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C19H23N3O2/c1-2-10-24-19-15(8-5-9-20-19)11-21-18(23)14-22-12-16-6-3-4-7-17(16)13-22/h3-9H,2,10-14H2,1H3,(H,21,23)
InChIKeyMJPHQVAOMXNLAF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.50
Rot. Bonds7

About 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide (PubChem CID 71844910) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
PubChem CID71844910
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
SMILESCCCOc1ncccc1CNC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C19H23N3O2/c1-2-10-24-19-15(8-5-9-20-19)11-21-18(23)14-22-12-16-6-3-4-7-17(16)13-22/h3-9H,2,10-14H2,1H3,(H,21,23)
InChIKeyMJPHQVAOMXNLAF-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
ethyl 4-[N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163672
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 38536750
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
1-benzyl-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110952639
ethyl 4-[[N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329982
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[(2-propoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 56566691
N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
CID 126809112
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968263
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[(2-propoxy-3-pyridinyl)methyl]urea
CID 95152224
N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221474

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide (CID 71844910) is 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide is CCCOc1ncccc1CNC(=O)CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is MJPHQVAOMXNLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-10-24-19-15(8-5-9-20-19)11-21-18(23)14-22-12-16-6-3-4-7-17(16)13-22/h3-9H,2,10-14H2,1H3,(H,21,23).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 71844910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).