(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile

C19H25BrN6O — CID 172598526

IUPAC(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
SMILESC/N=C(N)/C=C(/C)N.N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1
InChIInChI=1S/C14H14BrN3O.C5H11N3/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;1-4(6)3-5(7)8-2/h6,8-9H,1-5H2,(H,17,18);3H,6H2,1-2H3,(H2,7,8)/b;4-3-
InChIKeyCKFVUCINKUXPMZ-QGAMPUOQSA-N
MW433.35 g/mol
LogP4.04
Rot. Bonds3

About (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile

(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598526) has the molecular formula C19H25BrN6O and a molecular weight of 433.35 g/mol. Its IUPAC name is (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598526
Molecular FormulaC19H25BrN6O
Molecular Weight433.35 g/mol
Exact Mass432.13
IUPAC Name(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
SMILESC/N=C(N)/C=C(/C)N.N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1
InChIInChI=1S/C14H14BrN3O.C5H11N3/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;1-4(6)3-5(7)8-2/h6,8-9H,1-5H2,(H,17,18);3H,6H2,1-2H3,(H2,7,8)/b;4-3-
InChIKeyCKFVUCINKUXPMZ-QGAMPUOQSA-N
XLogP4.04
TPSA126.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599132
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;ethene;N-fluoro-N-methyl-2-[(3E)-penta-1,3-dien-3-yl]oxyethanamine
CID 172599684
(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 172598787
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
4-bromo-5-[[4-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine
CID 172598111
4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598200
4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598302
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;2-methylsulfinyl-2,8-diazaspiro[4.5]decane
CID 172599609

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile (CID 172598526) is (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile is C/N=C(N)/C=C(/C)N.N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1.
What is the InChIKey of (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is CKFVUCINKUXPMZ-QGAMPUOQSA-N. The full InChI is InChI=1S/C14H14BrN3O.C5H11N3/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;1-4(6)3-5(7)8-2/h6,8-9H,1-5H2,(H,17,18);3H,6H2,1-2H3,(H2,7,8)/b;4-3-.
What are the key properties of (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?
(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 433.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).