4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide

C25H23N3O2 — CID 153360604

IUPAC4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
InChIInChI=1S/C25H23N3O2/c29-24(27-16-17-2-1-12-26-15-17)19-5-3-18(4-6-19)21-9-10-23-22(14-21)11-13-28(23)25(30)20-7-8-20/h1-6,9-10,12,14-15,20H,7-8,11,13,16H2,(H,27,29)
InChIKeyGOIWVILJKQVYQR-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.98
Rot. Bonds5

About 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 153360604) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID153360604
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
InChIInChI=1S/C25H23N3O2/c29-24(27-16-17-2-1-12-26-15-17)19-5-3-18(4-6-19)21-9-10-23-22(14-21)11-13-28(23)25(30)20-7-8-20/h1-6,9-10,12,14-15,20H,7-8,11,13,16H2,(H,27,29)
InChIKeyGOIWVILJKQVYQR-UHFFFAOYSA-N
XLogP3.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 149220736
4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360647
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
1-(benzenesulfinyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 143820896
6-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109098252
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 153360604) is 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GOIWVILJKQVYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-24(27-16-17-2-1-12-26-15-17)19-5-3-18(4-6-19)21-9-10-23-22(14-21)11-13-28(23)25(30)20-7-8-20/h1-6,9-10,12,14-15,20H,7-8,11,13,16H2,(H,27,29).
What are the key properties of 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 153360604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).