N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

C30H29N3O3 — CID 173218302

IUPACN-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(-c3cc(-c4ccc(OCCC5CCCN5)cc4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C30H29N3O3/c34-33-28-10-6-22-18-23(5-9-26(22)28)27-19-29(36-30(27)21-11-15-31-16-12-21)20-3-7-25(8-4-20)35-17-13-24-2-1-14-32-24/h3-5,7-9,11-12,15-16,18-19,24,32,34H,1-2,6,10,13-14,17H2
InChIKeyNAAAGLXNXACOLZ-UHFFFAOYSA-N
MW479.58 g/mol
LogP6.32
Rot. Bonds7

About N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 173218302) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID173218302
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(-c3cc(-c4ccc(OCCC5CCCN5)cc4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C30H29N3O3/c34-33-28-10-6-22-18-23(5-9-26(22)28)27-19-29(36-30(27)21-11-15-31-16-12-21)20-3-7-25(8-4-20)35-17-13-24-2-1-14-32-24/h3-5,7-9,11-12,15-16,18-19,24,32,34H,1-2,6,10,13-14,17H2
InChIKeyNAAAGLXNXACOLZ-UHFFFAOYSA-N
XLogP6.32
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
CID 87832638
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
CID 136648481
cis-(1S,3R)-3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
CID 44587047
N-[5-[2-[2-(dimethylamino)ethoxy]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 154035419
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol
CID 155895025
5-[2-[(2R)-pyrrolidin-2-yl]ethoxy]pyrimidine
CID 97057121
3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol
CID 173311390
6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 173218302) is N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(-c3cc(-c4ccc(OCCC5CCCN5)cc4)oc3-c3ccncc3)ccc21.
What is the InChIKey of N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is NAAAGLXNXACOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c34-33-28-10-6-22-18-23(5-9-26(22)28)27-19-29(36-30(27)21-11-15-31-16-12-21)20-3-7-25(8-4-20)35-17-13-24-2-1-14-32-24/h3-5,7-9,11-12,15-16,18-19,24,32,34H,1-2,6,10,13-14,17H2.
What are the key properties of N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 479.58 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 173218302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).