6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one

C22H18F2N2O2 — CID 71105439

IUPAC6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(=O)CCO2
InChIInChI=1S/C22H18F2N2O2/c1-13-9-21-16(20(27)7-8-28-21)10-15(13)14-5-6-22(25-11-14)26-12-17-18(23)3-2-4-19(17)24/h2-6,9-11H,7-8,12H2,1H3,(H,25,26)
InChIKeyJUULXSWTGYUDAF-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.91
Rot. Bonds4

About 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one

6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one (PubChem CID 71105439) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one
PubChem CID71105439
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(=O)CCO2
InChIInChI=1S/C22H18F2N2O2/c1-13-9-21-16(20(27)7-8-28-21)10-15(13)14-5-6-22(25-11-14)26-12-17-18(23)3-2-4-19(17)24/h2-6,9-11H,7-8,12H2,1H3,(H,25,26)
InChIKeyJUULXSWTGYUDAF-UHFFFAOYSA-N
XLogP4.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one (CID 71105439) is 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one is Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(=O)CCO2.
What is the InChIKey of 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one?
The InChIKey is JUULXSWTGYUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-13-9-21-16(20(27)7-8-28-21)10-15(13)14-5-6-22(25-11-14)26-12-17-18(23)3-2-4-19(17)24/h2-6,9-11H,7-8,12H2,1H3,(H,25,26).
What are the key properties of 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one?
6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one has a molecular weight of 380.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2,6-difluorophenyl)methylamino]-3-pyridinyl]-7-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71105439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).