[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H24N4O — CID 109208134

IUPAC[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H24N4O/c1-14-10-15(2)12-17(11-14)21-16-4-5-20-18(13-16)19(24)23-8-6-22(3)7-9-23/h4-5,10-13H,6-9H2,1-3H3,(H,20,21)
InChIKeyYANLAFWIKVENNK-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.83
Rot. Bonds3

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

[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208134) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208134
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H24N4O/c1-14-10-15(2)12-17(11-14)21-16-4-5-20-18(13-16)19(24)23-8-6-22(3)7-9-23/h4-5,10-13H,6-9H2,1-3H3,(H,20,21)
InChIKeyYANLAFWIKVENNK-UHFFFAOYSA-N
XLogP2.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide
CID 20873893
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208134) is [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C)cc(Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YANLAFWIKVENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-10-15(2)12-17(11-14)21-16-4-5-20-18(13-16)19(24)23-8-6-22(3)7-9-23/h4-5,10-13H,6-9H2,1-3H3,(H,20,21).
What are the key properties of [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).