N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide

C21H20N4O2 — CID 72716918

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C21H20N4O2/c22-13-17-5-3-9-23-20(17)25-10-7-15(8-11-25)14-24-21(26)19-12-16-4-1-2-6-18(16)27-19/h1-6,9,12,15H,7-8,10-11,14H2,(H,24,26)
InChIKeyFGGHYPSCKZREGQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.35
Rot. Bonds4

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 72716918) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID72716918
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C21H20N4O2/c22-13-17-5-3-9-23-20(17)25-10-7-15(8-11-25)14-24-21(26)19-12-16-4-1-2-6-18(16)27-19/h1-6,9,12,15H,7-8,10-11,14H2,(H,24,26)
InChIKeyFGGHYPSCKZREGQ-UHFFFAOYSA-N
XLogP3.35
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109003
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 72716918) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide is N#Cc1cccnc1N1CCC(CNC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FGGHYPSCKZREGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-13-17-5-3-9-23-20(17)25-10-7-15(8-11-25)14-24-21(26)19-12-16-4-1-2-6-18(16)27-19/h1-6,9,12,15H,7-8,10-11,14H2,(H,24,26).
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 72716918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).