1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C19H22N4O2 — CID 109209061

IUPAC1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3cccc(C)c3)ccn2)CC1
InChIInChI=1S/C19H22N4O2/c1-14-4-3-5-16(12-14)21-17-6-7-20-18(13-17)19(25)23-10-8-22(9-11-23)15(2)24/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
InChIKeyNVEHSLXKMIYZLA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds3

About 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109209061) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109209061
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3cccc(C)c3)ccn2)CC1
InChIInChI=1S/C19H22N4O2/c1-14-4-3-5-16(12-14)21-17-6-7-20-18(13-17)19(25)23-10-8-22(9-11-23)15(2)24/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
InChIKeyNVEHSLXKMIYZLA-UHFFFAOYSA-N
XLogP2.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109209061) is 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(Nc3cccc(C)c3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is NVEHSLXKMIYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-4-3-5-16(12-14)21-17-6-7-20-18(13-17)19(25)23-10-8-22(9-11-23)15(2)24/h3-7,12-13H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109209061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).