N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide

C25H27N5O3 — CID 136635970

IUPACN'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
SMILESNC(CN1CCCC(c2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)o2)C1)=NO
InChIInChI=1S/C25H27N5O3/c26-24(29-32)15-30-11-1-2-19(14-30)23-13-21(25(33-23)16-7-9-27-10-8-16)18-3-5-20-17(12-18)4-6-22(20)28-31/h3,5,7-10,12-13,19,31-32H,1-2,4,6,11,14-15H2,(H2,26,29)
InChIKeyJECAEPVJIGSRRT-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.06
Rot. Bonds5

About N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide

N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide (PubChem CID 136635970) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
PubChem CID136635970
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
SMILESNC(CN1CCCC(c2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)o2)C1)=NO
InChIInChI=1S/C25H27N5O3/c26-24(29-32)15-30-11-1-2-19(14-30)23-13-21(25(33-23)16-7-9-27-10-8-16)18-3-5-20-17(12-18)4-6-22(20)28-31/h3,5,7-10,12-13,19,31-32H,1-2,4,6,11,14-15H2,(H2,26,29)
InChIKeyJECAEPVJIGSRRT-UHFFFAOYSA-N
XLogP4.06
TPSA120.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[2-pyridin-4-yl-5-[4-(2-pyrrolidin-2-ylethoxy)phenyl]furan-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 173218302
5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 91008901
N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136647659
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 69314809
5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one
CID 91160419
[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol
CID 155895025
N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
CID 136648481
(NE)-N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135452829
(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 87623644
[5-[5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]azanide;osmium(1+)
CID 142819289
N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 72983699
(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
CID 87832638

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide (CID 136635970) is N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide is NC(CN1CCCC(c2cc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)o2)C1)=NO.
What is the InChIKey of N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide?
The InChIKey is JECAEPVJIGSRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c26-24(29-32)15-30-11-1-2-19(14-30)23-13-21(25(33-23)16-7-9-27-10-8-16)18-3-5-20-17(12-18)4-6-22(20)28-31/h3,5,7-10,12-13,19,31-32H,1-2,4,6,11,14-15H2,(H2,26,29).
What are the key properties of N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide has a molecular weight of 445.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 136635970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).