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

C20H24ClN3O — CID 109152635

IUPAC[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-13-6-8-24(9-7-13)20(25)16-4-5-18(22-12-16)23-19-15(3)10-14(2)11-17(19)21/h4-5,10-13H,6-9H2,1-3H3,(H,22,23)
InChIKeyRPURTBGPFPESTQ-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.97
Rot. Bonds3

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

[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109152635) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109152635
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-13-6-8-24(9-7-13)20(25)16-4-5-18(22-12-16)23-19-15(3)10-14(2)11-17(19)21/h4-5,10-13H,6-9H2,1-3H3,(H,22,23)
InChIKeyRPURTBGPFPESTQ-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

[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109154641
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
N-(2-chloro-4,6-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152555
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
[6-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133435732
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109152635) is [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1cc(C)c(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)c(Cl)c1.
What is the InChIKey of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RPURTBGPFPESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-6-8-24(9-7-13)20(25)16-4-5-18(22-12-16)23-19-15(3)10-14(2)11-17(19)21/h4-5,10-13H,6-9H2,1-3H3,(H,22,23).
What are the key properties of [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-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 [6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109152635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).