6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

C24H25N3O2 — CID 66673399

IUPAC6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CC(NCCCc2ccccc2)C3)nc1
InChIInChI=1S/C24H25N3O2/c25-24(28)19-9-11-23(27-16-19)29-22-10-8-18-13-21(14-20(18)15-22)26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16,21,26H,4,7,12-14H2,(H2,25,28)
InChIKeyGDPLEAONMHQCMW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.66
Rot. Bonds8

About 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 66673399) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
PubChem CID66673399
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CC(NCCCc2ccccc2)C3)nc1
InChIInChI=1S/C24H25N3O2/c25-24(28)19-9-11-23(27-16-19)29-22-10-8-18-13-21(14-20(18)15-22)26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16,21,26H,4,7,12-14H2,(H2,25,28)
InChIKeyGDPLEAONMHQCMW-UHFFFAOYSA-N
XLogP3.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 69344197
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 11211889
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (CID 66673399) is 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CC(NCCCc2ccccc2)C3)nc1.
What is the InChIKey of 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is GDPLEAONMHQCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c25-24(28)19-9-11-23(27-16-19)29-22-10-8-18-13-21(14-20(18)15-22)26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16,21,26H,4,7,12-14H2,(H2,25,28).
What are the key properties of 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66673399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).