[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

C18H20F2N4O — CID 95728105

IUPAC[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H20F2N4O/c1-21-17-14(5-2-8-22-17)18(25)24-9-3-4-13(11-24)23-12-6-7-15(19)16(20)10-12/h2,5-8,10,13,23H,3-4,9,11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyLBNJMEBSLNXVEU-CYBMUJFWSA-N
MW346.38 g/mol
LogP3.12
Rot. Bonds4

About [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 95728105) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID95728105
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H20F2N4O/c1-21-17-14(5-2-8-22-17)18(25)24-9-3-4-13(11-24)23-12-6-7-15(19)16(20)10-12/h2,5-8,10,13,23H,3-4,9,11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyLBNJMEBSLNXVEU-CYBMUJFWSA-N
XLogP3.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 42292653
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 95728291
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (CID 95728105) is [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is LBNJMEBSLNXVEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-21-17-14(5-2-8-22-17)18(25)24-9-3-4-13(11-24)23-12-6-7-15(19)16(20)10-12/h2,5-8,10,13,23H,3-4,9,11H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 346.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 95728105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).