methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate

C20H24N4O3 — CID 109208518

IUPACmethyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
SMILESCCN1CCN(C(=O)c2cc(Nc3ccccc3C(=O)OC)ccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-3-23-10-12-24(13-11-23)19(25)18-14-15(8-9-21-18)22-17-7-5-4-6-16(17)20(26)27-2/h4-9,14H,3,10-13H2,1-2H3,(H,21,22)
InChIKeyDBQKYYGCMFUDRF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate

methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate (PubChem CID 109208518) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
PubChem CID109208518
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namemethyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
SMILESCCN1CCN(C(=O)c2cc(Nc3ccccc3C(=O)OC)ccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-3-23-10-12-24(13-11-23)19(25)18-14-15(8-9-21-18)22-17-7-5-4-6-16(17)20(26)27-2/h4-9,14H,3,10-13H2,1-2H3,(H,21,22)
InChIKeyDBQKYYGCMFUDRF-UHFFFAOYSA-N
XLogP2.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133
2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208545
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203739
3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208546
[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483
methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220287
ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate (CID 109208518) is methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate is CCN1CCN(C(=O)c2cc(Nc3ccccc3C(=O)OC)ccn2)CC1.
What is the InChIKey of methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate?
The InChIKey is DBQKYYGCMFUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-23-10-12-24(13-11-23)19(25)18-14-15(8-9-21-18)22-17-7-5-4-6-16(17)20(26)27-2/h4-9,14H,3,10-13H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate?
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate has a molecular weight of 368.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109208518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).