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

C19H24N4O — CID 109230137

IUPAC[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2cncc(C(=O)N3CCN(C)CC3)c2)c(C)c1
InChIInChI=1S/C19H24N4O/c1-14-4-5-18(15(2)10-14)21-17-11-16(12-20-13-17)19(24)23-8-6-22(3)7-9-23/h4-5,10-13,21H,6-9H2,1-3H3
InChIKeyNLKBQZABXBBVJH-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.83
Rot. Bonds3

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

[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230137) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230137
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2cncc(C(=O)N3CCN(C)CC3)c2)c(C)c1
InChIInChI=1S/C19H24N4O/c1-14-4-5-18(15(2)10-14)21-17-11-16(12-20-13-17)19(24)23-8-6-22(3)7-9-23/h4-5,10-13,21H,6-9H2,1-3H3
InChIKeyNLKBQZABXBBVJH-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

[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225589
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
N-[4-[[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109230186
(4-methylpiperazin-1-yl)-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109230180
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
[5-(2,6-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230222
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
morpholin-4-yl-[5-(2,4,6-trimethylanilino)-3-pyridinyl]methanone
CID 109228463

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230137) is [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(Nc2cncc(C(=O)N3CCN(C)CC3)c2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NLKBQZABXBBVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-4-5-18(15(2)10-14)21-17-11-16(12-20-13-17)19(24)23-8-6-22(3)7-9-23/h4-5,10-13,21H,6-9H2,1-3H3.
What are the key properties of [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(2,4-dimethylanilino)-3-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 [5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).