5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane

C21H29BrN4O3 — CID 142511638

IUPAC5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane
SMILESCC.O=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C19H23BrN4O3.C2H6/c20-17-5-4-16(27-17)19(25)22-14-13-21-18(24-8-10-26-11-9-24)12-15(14)23-6-2-1-3-7-23;1-2/h4-5,12-13H,1-3,6-11H2,(H,22,25);1-2H3
InChIKeyDWQYRMWEIVRASD-UHFFFAOYSA-N
MW465.39 g/mol
LogP4.54
Rot. Bonds4

About 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane

5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane (PubChem CID 142511638) has the molecular formula C21H29BrN4O3 and a molecular weight of 465.39 g/mol. Its IUPAC name is 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane.

Molecular Properties

Compound Name5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane
PubChem CID142511638
Molecular FormulaC21H29BrN4O3
Molecular Weight465.39 g/mol
Exact Mass464.14
IUPAC Name5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane
SMILESCC.O=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C19H23BrN4O3.C2H6/c20-17-5-4-16(27-17)19(25)22-14-13-21-18(24-8-10-26-11-9-24)12-15(14)23-6-2-1-3-7-23;1-2/h4-5,12-13H,1-3,6-11H2,(H,22,25);1-2H3
InChIKeyDWQYRMWEIVRASD-UHFFFAOYSA-N
XLogP4.54
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane with MolForge

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Related Compounds

5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137370804
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 6496960
5-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18581271
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387
5-bromo-N-[4-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 175337810
5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 175010773
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane?
The IUPAC name of 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane (CID 142511638) is 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane.
What is the SMILES notation for 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane?
The canonical SMILES for 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane is CC.O=C(Nc1cnc(N2CCOCC2)cc1N1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane?
The InChIKey is DWQYRMWEIVRASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3.C2H6/c20-17-5-4-16(27-17)19(25)22-14-13-21-18(24-8-10-26-11-9-24)12-15(14)23-6-2-1-3-7-23;1-2/h4-5,12-13H,1-3,6-11H2,(H,22,25);1-2H3.
What are the key properties of 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane?
5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane has a molecular weight of 465.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane is sourced from PubChem (CID 142511638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).