N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine

C28H27N3O3 — CID 90803372

IUPACN,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)o2)cc1
InChIInChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3
InChIKeyFQJVPSLTXAODEC-UHFFFAOYSA-N
MW453.54 g/mol
LogP6.37
Rot. Bonds8

About N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine (PubChem CID 90803372) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine
PubChem CID90803372
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)o2)cc1
InChIInChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3
InChIKeyFQJVPSLTXAODEC-UHFFFAOYSA-N
XLogP6.37
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-4-(pyridin-4-yl)furan-2-yl}phenoxy)ethyl]dimethylamine
CID 90842208
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-carboxamide
CID 91391208
(NE)-N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135452829
N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;hydrochloride
CID 136207967
(1E)-5-[5-(piperidin-4-yl)-2-(pyridin-4-yl)furan-3-yl]-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91126317
(1E)-5-{5-[1-(2-methoxyethyl)piperidin-4-yl]-2-(pyridin-4-yl)furan-3-yl}-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91427294
(1E)-5-[5-(morpholin-4-ylmethyl)-2-(pyridin-4-yl)furan-3-yl]-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91593400
(NE)-N-[5-[5-[1-(2-methoxyethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135453444
(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135469450
N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136065886
N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135929388
(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135542999

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine (CID 90803372) is N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine is CN(C)CCOc1ccc(-c2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine?
The InChIKey is FQJVPSLTXAODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine has a molecular weight of 453.54 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 90803372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).