2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide

C28H34N4O4 — CID 168928447

IUPAC2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide
SMILESCc1ccc(NC2CCc3ccccc32)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.NC=O
InChIInChI=1S/C27H31N3O3.CH3NO/c1-19-6-8-22(28-25-9-7-20-4-2-3-5-23(20)25)18-24(19)21-16-26(30-10-13-32-14-11-30)29-27(17-21)33-15-12-31;2-1-3/h2-6,8,16-18,25,28,31H,7,9-15H2,1H3;1H,(H2,2,3)
InChIKeyQXKZDMYKHXCZPA-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.47
Rot. Bonds7

About 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide

2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide (PubChem CID 168928447) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide.

Molecular Properties

Compound Name2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide
PubChem CID168928447
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide
SMILESCc1ccc(NC2CCc3ccccc32)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.NC=O
InChIInChI=1S/C27H31N3O3.CH3NO/c1-19-6-8-22(28-25-9-7-20-4-2-3-5-23(20)25)18-24(19)21-16-26(30-10-13-32-14-11-30)29-27(17-21)33-15-12-31;2-1-3/h2-6,8,16-18,25,28,31H,7,9-15H2,1H3;1H,(H2,2,3)
InChIKeyQXKZDMYKHXCZPA-UHFFFAOYSA-N
XLogP3.47
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155160644
(3S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160905
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
3-hydroxy-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160907
N-[3-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155700189
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 162767272
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 164758575
(3R)-N-[3-[2-[(2S)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160912
(3S)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155144936
(3S)-N-[3-[2-[(2S)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160681
(3S)-N-[3-[2-[(2S)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160446

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide?
The IUPAC name of 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide (CID 168928447) is 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide.
What is the SMILES notation for 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide?
The canonical SMILES for 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide is Cc1ccc(NC2CCc3ccccc32)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.NC=O.
What is the InChIKey of 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide?
The InChIKey is QXKZDMYKHXCZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3.CH3NO/c1-19-6-8-22(28-25-9-7-20-4-2-3-5-23(20)25)18-24(19)21-16-26(30-10-13-32-14-11-30)29-27(17-21)33-15-12-31;2-1-3/h2-6,8,16-18,25,28,31H,7,9-15H2,1H3;1H,(H2,2,3).
What are the key properties of 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide?
2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide has a molecular weight of 490.60 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(2,3-dihydro-1H-inden-1-ylamino)-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethanol;formamide is sourced from PubChem (CID 168928447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).