3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide

C24H23N3O2 — CID 110303864

IUPAC3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1
InChIInChI=1S/C24H23N3O2/c1-17-4-6-18(7-5-17)8-11-23(28)26-21-9-10-22-19(15-21)12-14-27(22)24(29)20-3-2-13-25-16-20/h2-7,9-10,13,15-16H,8,11-12,14H2,1H3,(H,26,28)
InChIKeyZXLPZYSJZOLUQH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.16
Rot. Bonds5

About 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide

3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide (PubChem CID 110303864) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
PubChem CID110303864
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1
InChIInChI=1S/C24H23N3O2/c1-17-4-6-18(7-5-17)8-11-23(28)26-21-9-10-22-19(15-21)12-14-27(22)24(29)20-3-2-13-25-16-20/h2-7,9-10,13,15-16H,8,11-12,14H2,1H3,(H,26,28)
InChIKeyZXLPZYSJZOLUQH-UHFFFAOYSA-N
XLogP4.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetamide
CID 110623427
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
ethyl 2-oxo-2-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]amino]acetate
CID 112506255
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120636790
4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide (CID 110303864) is 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide is Cc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide?
The InChIKey is ZXLPZYSJZOLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-4-6-18(7-5-17)8-11-23(28)26-21-9-10-22-19(15-21)12-14-27(22)24(29)20-3-2-13-25-16-20/h2-7,9-10,13,15-16H,8,11-12,14H2,1H3,(H,26,28).
What are the key properties of 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide?
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide has a molecular weight of 385.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide is sourced from PubChem (CID 110303864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).