[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C19H25Cl2FN4O — CID 119542627

IUPAC[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C19H23FN4O.2ClH/c1-21-13-14-8-11-24(12-9-14)19(25)15-5-4-10-22-18(15)23-17-7-3-2-6-16(17)20;;/h2-7,10,14,21H,8-9,11-13H2,1H3,(H,22,23);2*1H
InChIKeyRDLBDFGVSSFZLG-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.88
Rot. Bonds5

About [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119542627) has the molecular formula C19H25Cl2FN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119542627
Molecular FormulaC19H25Cl2FN4O
Molecular Weight415.34 g/mol
Exact Mass414.14
IUPAC Name[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C19H23FN4O.2ClH/c1-21-13-14-8-11-24(12-9-14)19(25)15-5-4-10-22-18(15)23-17-7-3-2-6-16(17)20;;/h2-7,10,14,21H,8-9,11-13H2,1H3,(H,22,23);2*1H
InChIKeyRDLBDFGVSSFZLG-UHFFFAOYSA-N
XLogP3.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 78836688
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 81461895

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119542627) is [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CNCC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1.Cl.Cl.
What is the InChIKey of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is RDLBDFGVSSFZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.2ClH/c1-21-13-14-8-11-24(12-9-14)19(25)15-5-4-10-22-18(15)23-17-7-3-2-6-16(17)20;;/h2-7,10,14,21H,8-9,11-13H2,1H3,(H,22,23);2*1H.
What are the key properties of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 415.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119542627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).