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

C68H68N10O10 — CID 161068798

IUPACN-(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
SMILESC#CCNC(=O)c1ccc(-c2cccnc2)o1.CC(NC(=O)c1ccc(-c2cccnc2)o1)C1CC1.CCN(CC)C(=O)c1ccc(-c2cccnc2)o1.CN(C)C(=O)c1ccc(-c2cccnc2)o1.O=C(c1ccc(-c2cccnc2)o1)N1CCCC1
InChIInChI=1S/C15H16N2O2.C14H14N2O2.C14H16N2O2.C13H10N2O2.C12H12N2O2/c1-10(11-4-5-11)17-15(18)14-7-6-13(19-14)12-3-2-8-16-9-12;17-14(16-8-1-2-9-16)13-6-5-12(18-13)11-4-3-7-15-10-11;1-3-16(4-2)14(17)13-8-7-12(18-13)11-6-5-9-15-10-11;1-2-7-15-13(16)12-6-5-11(17-12)10-4-3-8-14-9-10;1-14(2)12(15)11-6-5-10(16-11)9-4-3-7-13-8-9/h2-3,6-11H,4-5H2,1H3,(H,17,18);3-7,10H,1-2,8-9H2;5-10H,3-4H2,1-2H3;1,3-6,8-9H,7H2,(H,15,16);3-8H,1-2H3
InChIKeyUEJQMRGPGGLXJN-UHFFFAOYSA-N
MW1185.35 g/mol
LogP12.02
Rot. Bonds15

About 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

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 (PubChem CID 161068798) has the molecular formula C68H68N10O10 and a molecular weight of 1185.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID161068798
Molecular FormulaC68H68N10O10
Molecular Weight1185.35 g/mol
Exact Mass1184.51
IUPAC NameN-(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
SMILESC#CCNC(=O)c1ccc(-c2cccnc2)o1.CC(NC(=O)c1ccc(-c2cccnc2)o1)C1CC1.CCN(CC)C(=O)c1ccc(-c2cccnc2)o1.CN(C)C(=O)c1ccc(-c2cccnc2)o1.O=C(c1ccc(-c2cccnc2)o1)N1CCCC1
InChIInChI=1S/C15H16N2O2.C14H14N2O2.C14H16N2O2.C13H10N2O2.C12H12N2O2/c1-10(11-4-5-11)17-15(18)14-7-6-13(19-14)12-3-2-8-16-9-12;17-14(16-8-1-2-9-16)13-6-5-12(18-13)11-4-3-7-15-10-11;1-3-16(4-2)14(17)13-8-7-12(18-13)11-6-5-9-15-10-11;1-2-7-15-13(16)12-6-5-11(17-12)10-4-3-8-14-9-10;1-14(2)12(15)11-6-5-10(16-11)9-4-3-7-13-8-9/h2-3,6-11H,4-5H2,1H3,(H,17,18);3-7,10H,1-2,8-9H2;5-10H,3-4H2,1-2H3;1,3-6,8-9H,7H2,(H,15,16);3-8H,1-2H3
InChIKeyUEJQMRGPGGLXJN-UHFFFAOYSA-N
XLogP12.02
TPSA249.28 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.35
LogP ≤ 512.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71453823
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide
CID 71460959
5-(6-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180488
5-(2-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180587
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(6-fluoro-3-pyridinyl)furan-2-carboxamide
CID 18180683
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-fluoro-3-pyridinyl)furan-2-carboxamide
CID 18180777
5-(5-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180971
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 18181097
5-(4-fluoro-3-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18181843
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 21350196
5-(5-fluoro-3-pyridinyl)-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide
CID 69973517
5-(6-fluoro-3-pyridinyl)-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furan-2-carboxamide
CID 69975065

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CCNC(=O)c1ccc(-c2cccnc2)o1.CC(NC(=O)c1ccc(-c2cccnc2)o1)C1CC1.CCN(CC)C(=O)c1ccc(-c2cccnc2)o1.CN(C)C(=O)c1ccc(-c2cccnc2)o1.O=C(c1ccc(-c2cccnc2)o1)N1CCCC1.
What is the InChIKey of 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?
The InChIKey is UEJQMRGPGGLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C14H14N2O2.C14H16N2O2.C13H10N2O2.C12H12N2O2/c1-10(11-4-5-11)17-15(18)14-7-6-13(19-14)12-3-2-8-16-9-12;17-14(16-8-1-2-9-16)13-6-5-12(18-13)11-4-3-7-15-10-11;1-3-16(4-2)14(17)13-8-7-12(18-13)11-6-5-9-15-10-11;1-2-7-15-13(16)12-6-5-11(17-12)10-4-3-8-14-9-10;1-14(2)12(15)11-6-5-10(16-11)9-4-3-7-13-8-9/h2-3,6-11H,4-5H2,1H3,(H,17,18);3-7,10H,1-2,8-9H2;5-10H,3-4H2,1-2H3;1,3-6,8-9H,7H2,(H,15,16);3-8H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1185.35 g/mol, XLogP of 12.02, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161068798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).