[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C18H22N4O2 — CID 109208164

IUPAC[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C18H22N4O2/c1-21-8-10-22(11-9-21)18(23)17-13-15(6-7-19-17)20-14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,19,20)
InChIKeyNRMTWGCKIMXGFK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.22
Rot. Bonds4

About [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208164) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208164
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C18H22N4O2/c1-21-8-10-22(11-9-21)18(23)17-13-15(6-7-19-17)20-14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,19,20)
InChIKeyNRMTWGCKIMXGFK-UHFFFAOYSA-N
XLogP2.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345181
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208164) is [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NRMTWGCKIMXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-8-10-22(11-9-21)18(23)17-13-15(6-7-19-17)20-14-4-3-5-16(12-14)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,19,20).
What are the key properties of [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).