6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine

C21H25F2N3O — CID 11327585

IUPAC6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine
SMILESFc1cc(F)cc(Nc2ccc(CNCC3CCOCC3)c(C3CC3)n2)c1
InChIInChI=1S/C21H25F2N3O/c22-17-9-18(23)11-19(10-17)25-20-4-3-16(21(26-20)15-1-2-15)13-24-12-14-5-7-27-8-6-14/h3-4,9-11,14-15,24H,1-2,5-8,12-13H2,(H,25,26)
InChIKeyCGRDZJWIJJTRBE-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.50
Rot. Bonds7

About 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine

6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine (PubChem CID 11327585) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine
PubChem CID11327585
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine
SMILESFc1cc(F)cc(Nc2ccc(CNCC3CCOCC3)c(C3CC3)n2)c1
InChIInChI=1S/C21H25F2N3O/c22-17-9-18(23)11-19(10-17)25-20-4-3-16(21(26-20)15-1-2-15)13-24-12-14-5-7-27-8-6-14/h3-4,9-11,14-15,24H,1-2,5-8,12-13H2,(H,25,26)
InChIKeyCGRDZJWIJJTRBE-UHFFFAOYSA-N
XLogP4.50
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine?
The IUPAC name of 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine (CID 11327585) is 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine is Fc1cc(F)cc(Nc2ccc(CNCC3CCOCC3)c(C3CC3)n2)c1.
What is the InChIKey of 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine?
The InChIKey is CGRDZJWIJJTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c22-17-9-18(23)11-19(10-17)25-20-4-3-16(21(26-20)15-1-2-15)13-24-12-14-5-7-27-8-6-14/h3-4,9-11,14-15,24H,1-2,5-8,12-13H2,(H,25,26).
What are the key properties of 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine?
6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine has a molecular weight of 373.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3,5-difluorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 11327585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).