2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine

C24H29N5O — CID 161068901

IUPAC2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine
SMILESNCCN.O=C(c1ccccn1)N1CCc2ccccc21.c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12N2O.C8H9N.C2H8N2/c17-14(12-6-3-4-9-15-12)16-10-8-11-5-1-2-7-13(11)16;1-2-4-8-7(3-1)5-6-9-8;3-1-2-4/h1-7,9H,8,10H2;1-4,9H,5-6H2;1-4H2
InChIKeyUEJZEDHWJXKOJI-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.84
Rot. Bonds2

About 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine

2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine (PubChem CID 161068901) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine
PubChem CID161068901
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine
SMILESNCCN.O=C(c1ccccn1)N1CCc2ccccc21.c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12N2O.C8H9N.C2H8N2/c17-14(12-6-3-4-9-15-12)16-10-8-11-5-1-2-7-13(11)16;1-2-4-8-7(3-1)5-6-9-8;3-1-2-4/h1-7,9H,8,10H2;1-4,9H,5-6H2;1-4H2
InChIKeyUEJZEDHWJXKOJI-UHFFFAOYSA-N
XLogP2.84
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine with MolForge

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Related Compounds

2-bromoacetyl bromide;2-bromo-1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydro-1H-indole
CID 158779578
4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide
CID 22690130
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
2,3-dihydroindol-1-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 43325624
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
2-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109091604
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine?
The IUPAC name of 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine (CID 161068901) is 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine.
What is the SMILES notation for 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine?
The canonical SMILES for 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine is NCCN.O=C(c1ccccn1)N1CCc2ccccc21.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine?
The InChIKey is UEJZEDHWJXKOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C8H9N.C2H8N2/c17-14(12-6-3-4-9-15-12)16-10-8-11-5-1-2-7-13(11)16;1-2-4-8-7(3-1)5-6-9-8;3-1-2-4/h1-7,9H,8,10H2;1-4,9H,5-6H2;1-4H2.
What are the key properties of 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine?
2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine has a molecular weight of 403.53 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine is sourced from PubChem (CID 161068901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).