6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine

C19H25FN4 — CID 121301001

IUPAC6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(F)cc(NC3CCNCC3)c2)c1
InChIInChI=1S/C19H25FN4/c1-13-8-17(24-19(21)9-13)3-2-14-10-15(20)12-18(11-14)23-16-4-6-22-7-5-16/h8-12,16,22-23H,2-7H2,1H3,(H2,21,24)
InChIKeyMKHKHDGLVIPAOL-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.06
Rot. Bonds5

About 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 121301001) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID121301001
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(F)cc(NC3CCNCC3)c2)c1
InChIInChI=1S/C19H25FN4/c1-13-8-17(24-19(21)9-13)3-2-14-10-15(20)12-18(11-14)23-16-4-6-22-7-5-16/h8-12,16,22-23H,2-7H2,1H3,(H2,21,24)
InChIKeyMKHKHDGLVIPAOL-UHFFFAOYSA-N
XLogP3.06
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine (CID 121301001) is 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cc(F)cc(NC3CCNCC3)c2)c1.
What is the InChIKey of 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is MKHKHDGLVIPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-13-8-17(24-19(21)9-13)3-2-14-10-15(20)12-18(11-14)23-16-4-6-22-7-5-16/h8-12,16,22-23H,2-7H2,1H3,(H2,21,24).
What are the key properties of 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 328.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-fluoro-5-(piperidin-4-ylamino)phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 121301001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).