N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C17H20N2O — CID 155744646

IUPACN-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESCCNc1c(-c2ccnc(OC)c2)ccc2c1CCC2
InChIInChI=1S/C17H20N2O/c1-3-18-17-14-6-4-5-12(14)7-8-15(17)13-9-10-19-16(11-13)20-2/h7-11,18H,3-6H2,1-2H3
InChIKeyKSXBHABDICIXMR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.68
Rot. Bonds4

About N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 155744646) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID155744646
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESCCNc1c(-c2ccnc(OC)c2)ccc2c1CCC2
InChIInChI=1S/C17H20N2O/c1-3-18-17-14-6-4-5-12(14)7-8-15(17)13-9-10-19-16(11-13)20-2/h7-11,18H,3-6H2,1-2H3
InChIKeyKSXBHABDICIXMR-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]methylidenethiourea
CID 153357045
ethyl N'-carbamothioyl-N-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamimidothioate
CID 150985488
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393
N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158332853
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
CID 153403954
1-(1-cyclobutylazetidin-3-yl)sulfinyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137402555
1-(1-cyclobutylpyrazol-3-yl)sulfanyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 142529183
1-[[1-(2-hydroxyprop-2-enyl)pyrazol-3-yl]sulfonimidoyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 155224128
1-[3-[1-[(dimethylamino)methyl]cyclobutyl]cyclopenta-1,4-dien-1-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 155313254
1-[(4-chloro-1-methylphosphanylpyrazol-3-yl)sulfonimidoyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 146611581
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282
5-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 153357072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 155744646) is N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is CCNc1c(-c2ccnc(OC)c2)ccc2c1CCC2.
What is the InChIKey of N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is KSXBHABDICIXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-18-17-14-6-4-5-12(14)7-8-15(17)13-9-10-19-16(11-13)20-2/h7-11,18H,3-6H2,1-2H3.
What are the key properties of N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 155744646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).