4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen

C25H27N3O2 — CID 153360647

IUPAC4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
SMILESCCC(=O)N1CCc2c1ccc(-c1ccc(C(=O)NCc3cccnc3)cc1)c2C.[H][H]
InChIInChI=1S/C25H25N3O2.H2/c1-3-24(29)28-14-12-22-17(2)21(10-11-23(22)28)19-6-8-20(9-7-19)25(30)27-16-18-5-4-13-26-15-18;/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,27,30);1H
InChIKeyZDZBCDWEDOTHEO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.53
Rot. Bonds5

About 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen

4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen (PubChem CID 153360647) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
PubChem CID153360647
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
SMILESCCC(=O)N1CCc2c1ccc(-c1ccc(C(=O)NCc3cccnc3)cc1)c2C.[H][H]
InChIInChI=1S/C25H25N3O2.H2/c1-3-24(29)28-14-12-22-17(2)21(10-11-23(22)28)19-6-8-20(9-7-19)25(30)27-16-18-5-4-13-26-15-18;/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,27,30);1H
InChIKeyZDZBCDWEDOTHEO-UHFFFAOYSA-N
XLogP4.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 149220736
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
The IUPAC name of 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen (CID 153360647) is 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen.
What is the SMILES notation for 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
The canonical SMILES for 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen is CCC(=O)N1CCc2c1ccc(-c1ccc(C(=O)NCc3cccnc3)cc1)c2C.[H][H].
What is the InChIKey of 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
The InChIKey is ZDZBCDWEDOTHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.H2/c1-3-24(29)28-14-12-22-17(2)21(10-11-23(22)28)19-6-8-20(9-7-19)25(30)27-16-18-5-4-13-26-15-18;/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,27,30);1H.
What are the key properties of 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen?
4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen has a molecular weight of 401.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 153360647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).