[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H21FN6O — CID 123296473

IUPAC[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1C(Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21FN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25)
InChIKeyJNGVEMTWLIWQHA-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.91
Rot. Bonds4

About [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 123296473) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID123296473
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1C(Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21FN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25)
InChIKeyJNGVEMTWLIWQHA-UHFFFAOYSA-N
XLogP2.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271584
[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271014
[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405036
[(2S,3R)-2-methyl-3-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90442581
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271016
[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405506
[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90404864
(2-ethoxyphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271215
[2-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 123314919
[2-methyl-3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90405505
(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone
CID 134143872
N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317054

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 123296473) is [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is CC1C(Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is JNGVEMTWLIWQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25).
What are the key properties of [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 380.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 123296473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).