N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine

C14H17N3O2 — CID 71426063

IUPACN-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
SMILESCC(CN(Cc1ccccn1)Cc1ccco1)=NO
InChIInChI=1S/C14H17N3O2/c1-12(16-18)9-17(11-14-6-4-8-19-14)10-13-5-2-3-7-15-13/h2-8,18H,9-11H2,1H3
InChIKeySQXFYWSCIYOVGN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.53
Rot. Bonds6

About N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine

N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine (PubChem CID 71426063) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
PubChem CID71426063
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
SMILESCC(CN(Cc1ccccn1)Cc1ccco1)=NO
InChIInChI=1S/C14H17N3O2/c1-12(16-18)9-17(11-14-6-4-8-19-14)10-13-5-2-3-7-15-13/h2-8,18H,9-11H2,1H3
InChIKeySQXFYWSCIYOVGN-UHFFFAOYSA-N
XLogP2.53
TPSA61.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034
N-[1-[butyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426067
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91833759
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-pyrazin-2-ylacetamide
CID 50975744
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131916205
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809

Frequently Asked Questions

What is the IUPAC name of N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine (CID 71426063) is N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine is CC(CN(Cc1ccccn1)Cc1ccco1)=NO.
What is the InChIKey of N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine?
The InChIKey is SQXFYWSCIYOVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-12(16-18)9-17(11-14-6-4-8-19-14)10-13-5-2-3-7-15-13/h2-8,18H,9-11H2,1H3.
What are the key properties of N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine?
N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine has a molecular weight of 259.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 71426063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).