N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide

C22H19N5O3 — CID 58588137

IUPACN-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
SMILESCNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccco3)cc2C)n1
InChIInChI=1S/C22H19N5O3/c1-14-13-15(26-20(28)19-6-4-12-29-19)7-8-18(14)30-21-16(5-3-10-24-21)17-9-11-25-22(23-2)27-17/h3-13H,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyJYIBPIZAQDQZBG-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.53
Rot. Bonds6

About N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide

N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide (PubChem CID 58588137) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
PubChem CID58588137
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
SMILESCNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccco3)cc2C)n1
InChIInChI=1S/C22H19N5O3/c1-14-13-15(26-20(28)19-6-4-12-29-19)7-8-18(14)30-21-16(5-3-10-24-21)17-9-11-25-22(23-2)27-17/h3-13H,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyJYIBPIZAQDQZBG-UHFFFAOYSA-N
XLogP4.53
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide (CID 58588137) is N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide is CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccco3)cc2C)n1.
What is the InChIKey of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
The InChIKey is JYIBPIZAQDQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-14-13-15(26-20(28)19-6-4-12-29-19)7-8-18(14)30-21-16(5-3-10-24-21)17-9-11-25-22(23-2)27-17/h3-13H,1-2H3,(H,26,28)(H,23,25,27).
What are the key properties of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 58588137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).