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

C18H21FN4O — CID 119487525

IUPAC[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccnc2Nc2ccccc2F)C1
InChIInChI=1S/C18H21FN4O/c1-20-13-6-5-11-23(12-13)18(24)14-7-4-10-21-17(14)22-16-9-3-2-8-15(16)19/h2-4,7-10,13,20H,5-6,11-12H2,1H3,(H,21,22)
InChIKeyPXIPZWJOUQYKID-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.79
Rot. Bonds4

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

[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119487525) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119487525
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccnc2Nc2ccccc2F)C1
InChIInChI=1S/C18H21FN4O/c1-20-13-6-5-11-23(12-13)18(24)14-7-4-10-21-17(14)22-16-9-3-2-8-15(16)19/h2-4,7-10,13,20H,5-6,11-12H2,1H3,(H,21,22)
InChIKeyPXIPZWJOUQYKID-UHFFFAOYSA-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

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
CID 126787902
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
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-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119487525) is [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cccnc2Nc2ccccc2F)C1.
What is the InChIKey of [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is PXIPZWJOUQYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-20-13-6-5-11-23(12-13)18(24)14-7-4-10-21-17(14)22-16-9-3-2-8-15(16)19/h2-4,7-10,13,20H,5-6,11-12H2,1H3,(H,21,22).
What are the key properties of [2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone?
[2-(2-fluoroanilino)-3-pyridinyl]-[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-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119487525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).