[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C20H24ClN3O — CID 109196351

IUPAC[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2ccc(C(=O)N3CCCC(C)C3)nc2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-13-5-4-8-24(12-13)20(25)18-7-6-16(11-22-18)23-19-15(3)9-14(2)10-17(19)21/h6-7,9-11,13,23H,4-5,8,12H2,1-3H3
InChIKeyFMSRMORBVJXESZ-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.97
Rot. Bonds3

About [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109196351) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109196351
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2ccc(C(=O)N3CCCC(C)C3)nc2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-13-5-4-8-24(12-13)20(25)18-7-6-16(11-22-18)23-19-15(3)9-14(2)10-17(19)21/h6-7,9-11,13,23H,4-5,8,12H2,1-3H3
InChIKeyFMSRMORBVJXESZ-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334056
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
CID 109181511
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218123

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109196351) is [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C)c(Nc2ccc(C(=O)N3CCCC(C)C3)nc2)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FMSRMORBVJXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-5-4-8-24(12-13)20(25)18-7-6-16(11-22-18)23-19-15(3)9-14(2)10-17(19)21/h6-7,9-11,13,23H,4-5,8,12H2,1-3H3.
What are the key properties of [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 357.89 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109196351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).