1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one

C18H22N2O — CID 102553129

IUPAC1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCNC1CCc2ccccc21
InChIInChI=1S/C18H22N2O/c21-18-9-3-5-13-20(18)14-6-4-12-19-17-11-10-15-7-1-2-8-16(15)17/h1-3,5,7-9,13,17,19H,4,6,10-12,14H2
InChIKeyKAVZEPOVAFMTBY-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.91
Rot. Bonds6

About 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one

1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one (PubChem CID 102553129) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
PubChem CID102553129
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCNC1CCc2ccccc21
InChIInChI=1S/C18H22N2O/c21-18-9-3-5-13-20(18)14-6-4-12-19-17-11-10-15-7-1-2-8-16(15)17/h1-3,5,7-9,13,17,19H,4,6,10-12,14H2
InChIKeyKAVZEPOVAFMTBY-UHFFFAOYSA-N
XLogP2.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
CID 99577336
1-[4-[[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]butyl]pyridin-2-one
CID 97230970
1-[4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butyl]pyridin-2-one
CID 91644766
1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one
CID 97230967
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43203679
1-[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]butyl]pyridin-2-one
CID 75383030
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride
CID 19036733

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one (CID 102553129) is 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one is O=c1ccccn1CCCCNC1CCc2ccccc21.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one?
The InChIKey is KAVZEPOVAFMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-9-3-5-13-20(18)14-6-4-12-19-17-11-10-15-7-1-2-8-16(15)17/h1-3,5,7-9,13,17,19H,4,6,10-12,14H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one?
1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one is sourced from PubChem (CID 102553129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).