[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine

C21H24FN5 — CID 176665851

IUPAC[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
SMILESC[C@@H]1C[C@H](C)CN(c2cc(F)cc(-c3ccc4cnc(CN)cc4n3)n2)C1
InChIInChI=1S/C21H24FN5/c1-13-5-14(2)12-27(11-13)21-7-16(22)6-20(26-21)18-4-3-15-10-24-17(9-23)8-19(15)25-18/h3-4,6-8,10,13-14H,5,9,11-12,23H2,1-2H3/t13-,14+
InChIKeyUFDWWKLUJNXUFX-OKILXGFUSA-N
MW365.46 g/mol
LogP3.77
Rot. Bonds3

About [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine

[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine (PubChem CID 176665851) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine.

Molecular Properties

Compound Name[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
PubChem CID176665851
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
SMILESC[C@@H]1C[C@H](C)CN(c2cc(F)cc(-c3ccc4cnc(CN)cc4n3)n2)C1
InChIInChI=1S/C21H24FN5/c1-13-5-14(2)12-27(11-13)21-7-16(22)6-20(26-21)18-4-3-15-10-24-17(9-23)8-19(15)25-18/h3-4,6-8,10,13-14H,5,9,11-12,23H2,1-2H3/t13-,14+
InChIKeyUFDWWKLUJNXUFX-OKILXGFUSA-N
XLogP3.77
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
CID 176665269
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide
CID 176666719
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
3-chloro-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665711
3-chloro-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-sulfanylbenzamide;difluoromethane
CID 176665372
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227
N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methyl-5-(tetrazol-1-yl)benzamide
CID 176665846
[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 115486808
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-(2-hydroxyethylsulfanyl)-4-methylbenzamide
CID 176665435
N-[[2-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen
CID 176665893
[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
CID 163300970

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
The IUPAC name of [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine (CID 176665851) is [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine.
What is the SMILES notation for [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
The canonical SMILES for [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine is C[C@@H]1C[C@H](C)CN(c2cc(F)cc(-c3ccc4cnc(CN)cc4n3)n2)C1.
What is the InChIKey of [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
The InChIKey is UFDWWKLUJNXUFX-OKILXGFUSA-N. The full InChI is InChI=1S/C21H24FN5/c1-13-5-14(2)12-27(11-13)21-7-16(22)6-20(26-21)18-4-3-15-10-24-17(9-23)8-19(15)25-18/h3-4,6-8,10,13-14H,5,9,11-12,23H2,1-2H3/t13-,14+.
What are the key properties of [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine has a molecular weight of 365.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine is sourced from PubChem (CID 176665851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).