5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine

C26H32FN5O — CID 134381103

IUPAC5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine
SMILESCCOc1cc(-c2cc(Nc3ccnc(C(C)(C)F)c3)cnc2C)cc(N2CCCCC2)n1
InChIInChI=1S/C26H32FN5O/c1-5-33-25-14-19(13-24(31-25)32-11-7-6-8-12-32)22-15-21(17-29-18(22)2)30-20-9-10-28-23(16-20)26(3,4)27/h9-10,13-17H,5-8,11-12H2,1-4H3,(H,28,30)
InChIKeyFTYBYXUIGZHBJY-UHFFFAOYSA-N
MW449.57 g/mol
LogP6.18
Rot. Bonds7

About 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine

5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine (PubChem CID 134381103) has the molecular formula C26H32FN5O and a molecular weight of 449.57 g/mol. Its IUPAC name is 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine
PubChem CID134381103
Molecular FormulaC26H32FN5O
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC Name5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine
SMILESCCOc1cc(-c2cc(Nc3ccnc(C(C)(C)F)c3)cnc2C)cc(N2CCCCC2)n1
InChIInChI=1S/C26H32FN5O/c1-5-33-25-14-19(13-24(31-25)32-11-7-6-8-12-32)22-15-21(17-29-18(22)2)30-20-9-10-28-23(16-20)26(3,4)27/h9-10,13-17H,5-8,11-12H2,1-4H3,(H,28,30)
InChIKeyFTYBYXUIGZHBJY-UHFFFAOYSA-N
XLogP6.18
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.57
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine?
The IUPAC name of 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine (CID 134381103) is 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine.
What is the SMILES notation for 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine?
The canonical SMILES for 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine is CCOc1cc(-c2cc(Nc3ccnc(C(C)(C)F)c3)cnc2C)cc(N2CCCCC2)n1.
What is the InChIKey of 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine?
The InChIKey is FTYBYXUIGZHBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O/c1-5-33-25-14-19(13-24(31-25)32-11-7-6-8-12-32)22-15-21(17-29-18(22)2)30-20-9-10-28-23(16-20)26(3,4)27/h9-10,13-17H,5-8,11-12H2,1-4H3,(H,28,30).
What are the key properties of 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine?
5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine has a molecular weight of 449.57 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-6-piperidin-1-yl-4-pyridinyl)-N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 134381103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).