2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone

C26H28N4O — CID 133439711

IUPAC2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccccc2N2CCCCC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C26H28N4O/c31-26(30-17-14-20-8-2-5-11-24(20)30)22-12-13-25(28-19-22)27-18-21-9-3-4-10-23(21)29-15-6-1-7-16-29/h2-5,8-13,19H,1,6-7,14-18H2,(H,27,28)
InChIKeyFPHVFYRMCRSWLH-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.89
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone (PubChem CID 133439711) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
PubChem CID133439711
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccccc2N2CCCCC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C26H28N4O/c31-26(30-17-14-20-8-2-5-11-24(20)30)22-12-13-25(28-19-22)27-18-21-9-3-4-10-23(21)29-15-6-1-7-16-29/h2-5,8-13,19H,1,6-7,14-18H2,(H,27,28)
InChIKeyFPHVFYRMCRSWLH-UHFFFAOYSA-N
XLogP4.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone 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

3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanone
CID 109157070
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109157414
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
CID 109159706
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439624
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone (CID 133439711) is 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone is O=C(c1ccc(NCc2ccccc2N2CCCCC2)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone?
The InChIKey is FPHVFYRMCRSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c31-26(30-17-14-20-8-2-5-11-24(20)30)22-12-13-25(28-19-22)27-18-21-9-3-4-10-23(21)29-15-6-1-7-16-29/h2-5,8-13,19H,1,6-7,14-18H2,(H,27,28).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone has a molecular weight of 412.54 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133439711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).