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

C20H25N3O — CID 109205152

IUPAC[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2ccnc(C(=O)N3CCC(C)CC3)c2)c(C)c1
InChIInChI=1S/C20H25N3O/c1-14-7-10-23(11-8-14)20(24)19-13-17(6-9-21-19)22-18-5-4-15(2)12-16(18)3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,22)
InChIKeyQRUJWNSTSDKTBA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.31
Rot. Bonds3

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

[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205152) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205152
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2ccnc(C(=O)N3CCC(C)CC3)c2)c(C)c1
InChIInChI=1S/C20H25N3O/c1-14-7-10-23(11-8-14)20(24)19-13-17(6-9-21-19)22-18-5-4-15(2)12-16(18)3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,22)
InChIKeyQRUJWNSTSDKTBA-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205215
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109213782
[4-(4-bromo-2-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203773
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109205195
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
N-(2,4-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095478
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299212
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205152) is [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2ccnc(C(=O)N3CCC(C)CC3)c2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QRUJWNSTSDKTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-7-10-23(11-8-14)20(24)19-13-17(6-9-21-19)22-18-5-4-15(2)12-16(18)3/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,22).
What are the key properties of [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).