N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide

C18H19N5O4 — CID 143994865

IUPACN-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCNC(=O)CNC(=O)c1ccc(-c2ccc(OCc3cn(C)cn3)cn2)o1
InChIInChI=1S/C18H19N5O4/c1-19-17(24)8-21-18(25)16-6-5-15(27-16)14-4-3-13(7-20-14)26-10-12-9-23(2)11-22-12/h3-7,9,11H,8,10H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyDUHYISMEVSAVAP-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.13
Rot. Bonds7

About N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide

N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide (PubChem CID 143994865) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide
PubChem CID143994865
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCNC(=O)CNC(=O)c1ccc(-c2ccc(OCc3cn(C)cn3)cn2)o1
InChIInChI=1S/C18H19N5O4/c1-19-17(24)8-21-18(25)16-6-5-15(27-16)14-4-3-13(7-20-14)26-10-12-9-23(2)11-22-12/h3-7,9,11H,8,10H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyDUHYISMEVSAVAP-UHFFFAOYSA-N
XLogP1.13
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide (CID 143994865) is N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide is CNC(=O)CNC(=O)c1ccc(-c2ccc(OCc3cn(C)cn3)cn2)o1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is DUHYISMEVSAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-19-17(24)8-21-18(25)16-6-5-15(27-16)14-4-3-13(7-20-14)26-10-12-9-23(2)11-22-12/h3-7,9,11H,8,10H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-5-[5-[(1-methylimidazol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 143994865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).