[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone

C20H21ClN6O — CID 134503179

IUPAC[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCCC(Nc3ccc(Cl)cn3)C2)c(-n2nccn2)c1
InChIInChI=1S/C20H21ClN6O/c1-14-4-6-17(18(11-14)27-23-8-9-24-27)20(28)26-10-2-3-16(13-26)25-19-7-5-15(21)12-22-19/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,25)
InChIKeyOPFSJFGAXGWQRH-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.34
Rot. Bonds4

About [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone

[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 134503179) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID134503179
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCCC(Nc3ccc(Cl)cn3)C2)c(-n2nccn2)c1
InChIInChI=1S/C20H21ClN6O/c1-14-4-6-17(18(11-14)27-23-8-9-24-27)20(28)26-10-2-3-16(13-26)25-19-7-5-15(21)12-22-19/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,25)
InChIKeyOPFSJFGAXGWQRH-UHFFFAOYSA-N
XLogP3.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 134503384
[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90404864
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 134503463
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503138
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271016
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 70226915
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 134503214

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (CID 134503179) is [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(C(=O)N2CCCC(Nc3ccc(Cl)cn3)C2)c(-n2nccn2)c1.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is OPFSJFGAXGWQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-14-4-6-17(18(11-14)27-23-8-9-24-27)20(28)26-10-2-3-16(13-26)25-19-7-5-15(21)12-22-19/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,25).
What are the key properties of [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 396.88 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134503179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).