N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine

C74H73F2N9O9S — CID 159843591

IUPACN-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine
SMILESC#CCN(C)C(=O)c1ccc(-c2cccnc2)o1.C=C(CCc1cccs1)c1ccc(-c2cccnc2)o1.CC(F)(F)CNC(=O)c1coc(-c2cccnc2)c1.CCN(C)C(=O)c1ccc(-c2cccnc2)o1.O=C(NCC1CCCCC1)c1ccc(-c2cccnc2)o1
InChIInChI=1S/C17H20N2O2.C17H15NOS.C14H12N2O2.C13H12F2N2O2.C13H14N2O2/c20-17(19-11-13-5-2-1-3-6-13)16-9-8-15(21-16)14-7-4-10-18-12-14;1-13(6-7-15-5-3-11-20-15)16-8-9-17(19-16)14-4-2-10-18-12-14;1-3-9-16(2)14(17)13-7-6-12(18-13)11-5-4-8-15-10-11;1-13(14,15)8-17-12(18)10-5-11(19-7-10)9-3-2-4-16-6-9;1-3-15(2)13(16)12-7-6-11(17-12)10-5-4-8-14-9-10/h4,7-10,12-13H,1-3,5-6,11H2,(H,19,20);2-5,8-12H,1,6-7H2;1,4-8,10H,9H2,2H3;2-7H,8H2,1H3,(H,17,18);4-9H,3H2,1-2H3
InChIKeyNOZRVODWOOEFTL-UHFFFAOYSA-N
MW1302.51 g/mol
LogP15.91
Rot. Bonds19

About N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine

N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine (PubChem CID 159843591) has the molecular formula C74H73F2N9O9S and a molecular weight of 1302.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine
PubChem CID159843591
Molecular FormulaC74H73F2N9O9S
Molecular Weight1302.51 g/mol
Exact Mass1301.52
IUPAC NameN-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine
SMILESC#CCN(C)C(=O)c1ccc(-c2cccnc2)o1.C=C(CCc1cccs1)c1ccc(-c2cccnc2)o1.CC(F)(F)CNC(=O)c1coc(-c2cccnc2)c1.CCN(C)C(=O)c1ccc(-c2cccnc2)o1.O=C(NCC1CCCCC1)c1ccc(-c2cccnc2)o1
InChIInChI=1S/C17H20N2O2.C17H15NOS.C14H12N2O2.C13H12F2N2O2.C13H14N2O2/c20-17(19-11-13-5-2-1-3-6-13)16-9-8-15(21-16)14-7-4-10-18-12-14;1-13(6-7-15-5-3-11-20-15)16-8-9-17(19-16)14-4-2-10-18-12-14;1-3-9-16(2)14(17)13-7-6-12(18-13)11-5-4-8-15-10-11;1-13(14,15)8-17-12(18)10-5-11(19-7-10)9-3-2-4-16-6-9;1-3-15(2)13(16)12-7-6-11(17-12)10-5-4-8-14-9-10/h4,7-10,12-13H,1-3,5-6,11H2,(H,19,20);2-5,8-12H,1,6-7H2;1,4-8,10H,9H2,2H3;2-7H,8H2,1H3,(H,17,18);4-9H,3H2,1-2H3
InChIKeyNOZRVODWOOEFTL-UHFFFAOYSA-N
XLogP15.91
TPSA228.97 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001302.51
LogP ≤ 515.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N,N-diethyl-3-methyl-5-pyridin-3-ylfuran-2-carboxamide;4-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-ylfuran-2-yl)butan-1-one;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-1-(5-pyridin-3-ylfuran-2-yl)ethenamine;N-[1-(5-pyridin-3-ylfuran-2-yl)ethenyl]propan-1-amine
CID 160902056
[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone
CID 141045915
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(2-methylpropyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 157448608
4,11-Diazatricyclo[8.4.0.03,7]tetradeca-1(14),3,5,7,9,12-hexaen-2-one;6,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one;4-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-one;6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one;4-thia-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-one;6-thia-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one;4,6,11-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3,5,7,9,12-hexaen-2-one
CID 157659807
N,N-diethyl-4-[[1-(furan-2-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide;furan-2-carbaldehyde;furan-3-carbaldehyde;thiophene-2-carbaldehyde
CID 159360643
2,5-dihydrocyclopenta[c]pyridin-1-one;5,6-dihydro-4H-furo[2,3-c]pyridin-7-one;6,7-dihydro-5H-furo[3,2-c]pyridin-4-one;3,4-dihydro-2H-isoquinolin-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;1,6-dihydropyrrolo[2,3-c]pyridin-7-one;5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one;6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one;heptadecakis(2,2-dimethylpropane);5H-furo[3,2-c]pyridin-4-one;6H-furo[2,3-c]pyridin-7-one;2H-isoquinolin-1-one;6H-1,6-naphthyridin-5-one;1,2,3,4-tetrahydrocyclopenta[c]isoquinolin-5-one;2,3,4,5-tetrahydrocyclopenta[c]pyridin-1-one;1,4,5,6-tetrahydropyrrolo[2,3-c]pyridin-7-one;5H-thieno[3,2-c]pyridin-4-one;6H-thieno[2,3-c]pyridin-7-one
CID 160488027
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-methyl-2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(2-methylpropyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 160952589
N-(1-cyclopropylethyl)-5-pyridin-3-ylfuran-2-carboxamide;N,N-diethyl-5-pyridin-3-ylfuran-2-carboxamide;N,N-dimethyl-5-pyridin-3-ylfuran-2-carboxamide;N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;(5-pyridin-3-ylfuran-2-yl)-pyrrolidin-1-ylmethanone
CID 161068798
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
CID 161412423

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine?
The IUPAC name of N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine (CID 159843591) is N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine?
The canonical SMILES for N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine is C#CCN(C)C(=O)c1ccc(-c2cccnc2)o1.C=C(CCc1cccs1)c1ccc(-c2cccnc2)o1.CC(F)(F)CNC(=O)c1coc(-c2cccnc2)c1.CCN(C)C(=O)c1ccc(-c2cccnc2)o1.O=C(NCC1CCCCC1)c1ccc(-c2cccnc2)o1.
What is the InChIKey of N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine?
The InChIKey is NOZRVODWOOEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.C17H15NOS.C14H12N2O2.C13H12F2N2O2.C13H14N2O2/c20-17(19-11-13-5-2-1-3-6-13)16-9-8-15(21-16)14-7-4-10-18-12-14;1-13(6-7-15-5-3-11-20-15)16-8-9-17(19-16)14-4-2-10-18-12-14;1-3-9-16(2)14(17)13-7-6-12(18-13)11-5-4-8-15-10-11;1-13(14,15)8-17-12(18)10-5-11(19-7-10)9-3-2-4-16-6-9;1-3-15(2)13(16)12-7-6-11(17-12)10-5-4-8-14-9-10/h4,7-10,12-13H,1-3,5-6,11H2,(H,19,20);2-5,8-12H,1,6-7H2;1,4-8,10H,9H2,2H3;2-7H,8H2,1H3,(H,17,18);4-9H,3H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine?
N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine has a molecular weight of 1302.51 g/mol, XLogP of 15.91, 19 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine is sourced from PubChem (CID 159843591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).