[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone

C19H23FN4O — CID 119516715

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
SMILESCC(N)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O/c1-13(21)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/h2-7,10,13-14H,8-9,11-12,21H2,1H3,(H,22,23)
InChIKeyYZFNUPHZKLPYSO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.16
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone (PubChem CID 119516715) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
PubChem CID119516715
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
SMILESCC(N)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O/c1-13(21)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/h2-7,10,13-14H,8-9,11-12,21H2,1H3,(H,22,23)
InChIKeyYZFNUPHZKLPYSO-UHFFFAOYSA-N
XLogP3.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.16
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-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
[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-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119594620
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-methylmorpholine-2-carboxamide
CID 126787902
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124682502

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone (CID 119516715) is [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone is CC(N)C1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone?
The InChIKey is YZFNUPHZKLPYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13(21)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/h2-7,10,13-14H,8-9,11-12,21H2,1H3,(H,22,23).
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 119516715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).