[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone

C18H21FN4O — CID 124575323

IUPAC[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1
InChIInChI=1S/C18H21FN4O/c1-20-15-7-4-10-23(12-15)18(24)16-8-3-9-21-17(16)22-14-6-2-5-13(19)11-14/h2-3,5-6,8-9,11,15,20H,4,7,10,12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyXWCZCJMGFJHLMZ-HNNXBMFYSA-N
MW328.39 g/mol
LogP2.79
Rot. Bonds4

About [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone

[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124575323) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124575323
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1
InChIInChI=1S/C18H21FN4O/c1-20-15-7-4-10-23(12-15)18(24)16-8-3-9-21-17(16)22-14-6-2-5-13(19)11-14/h2-3,5-6,8-9,11,15,20H,4,7,10,12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyXWCZCJMGFJHLMZ-HNNXBMFYSA-N
XLogP2.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97077466
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
(2-chloro-3-pyridinyl)-[(3R)-3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95094595

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone (CID 124575323) is [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone is CN[C@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1.
What is the InChIKey of [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is XWCZCJMGFJHLMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-20-15-7-4-10-23(12-15)18(24)16-8-3-9-21-17(16)22-14-6-2-5-13(19)11-14/h2-3,5-6,8-9,11,15,20H,4,7,10,12H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124575323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).