N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

C26H25N5O3 — CID 136647659

IUPACN-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCN(C)CCOc1ncc(-c2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)o2)cn1
InChIInChI=1S/C26H25N5O3/c1-31(2)11-12-33-26-28-15-20(16-29-26)24-14-22(25(34-24)17-7-9-27-10-8-17)19-3-5-21-18(13-19)4-6-23(21)30-32/h3,5,7-10,13-16,32H,4,6,11-12H2,1-2H3
InChIKeyINRJCWXDGSLDMF-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.53
Rot. Bonds7

About N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 136647659) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID136647659
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCN(C)CCOc1ncc(-c2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)o2)cn1
InChIInChI=1S/C26H25N5O3/c1-31(2)11-12-33-26-28-15-20(16-29-26)24-14-22(25(34-24)17-7-9-27-10-8-17)19-3-5-21-18(13-19)4-6-23(21)30-32/h3,5,7-10,13-16,32H,4,6,11-12H2,1-2H3
InChIKeyINRJCWXDGSLDMF-UHFFFAOYSA-N
XLogP4.53
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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]-3-(2-methyl-4-pyridinyl)furan-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136618073
N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 154035419
N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
CID 136648481
N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 173218302
(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
CID 87832638
5-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 69430551
(NE)-N-[5-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135466457
2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl-methylamino]isoindole-1,3-dione
CID 135156663
2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 135581546
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide
CID 91489847

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 136647659) is N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is CN(C)CCOc1ncc(-c2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)o2)cn1.
What is the InChIKey of N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is INRJCWXDGSLDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-31(2)11-12-33-26-28-15-20(16-29-26)24-14-22(25(34-24)17-7-9-27-10-8-17)19-3-5-21-18(13-19)4-6-23(21)30-32/h3,5,7-10,13-16,32H,4,6,11-12H2,1-2H3.
What are the key properties of N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 455.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 136647659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).