(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone

C21H18F2N2O2 — CID 56941220

IUPAC(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone
SMILESCCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C21H18F2N2O2/c1-3-27-16-7-4-13(5-8-16)15-10-17(21(24-2)25-12-15)20(26)14-6-9-18(22)19(23)11-14/h4-12H,3H2,1-2H3,(H,24,25)
InChIKeyQRZTTXPNOZNAIN-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.70
Rot. Bonds6

About (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone

(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone (PubChem CID 56941220) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone
PubChem CID56941220
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone
SMILESCCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C21H18F2N2O2/c1-3-27-16-7-4-13(5-8-16)15-10-17(21(24-2)25-12-15)20(26)14-6-9-18(22)19(23)11-14/h4-12H,3H2,1-2H3,(H,24,25)
InChIKeyQRZTTXPNOZNAIN-UHFFFAOYSA-N
XLogP4.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone (CID 56941220) is (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone is CCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is QRZTTXPNOZNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-3-27-16-7-4-13(5-8-16)15-10-17(21(24-2)25-12-15)20(26)14-6-9-18(22)19(23)11-14/h4-12H,3H2,1-2H3,(H,24,25).
What are the key properties of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone?
(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 368.38 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 56941220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).