methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate

C20H24N4O3 — CID 109264187

IUPACmethyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C20H24N4O3/c1-3-15-8-6-7-11-24(15)18(25)14-12-21-20(22-13-14)23-17-10-5-4-9-16(17)19(26)27-2/h4-5,9-10,12-13,15H,3,6-8,11H2,1-2H3,(H,21,22,23)
InChIKeyMKNOZTBSRZKUPF-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.41
Rot. Bonds5

About methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate

methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate (PubChem CID 109264187) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
PubChem CID109264187
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namemethyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C20H24N4O3/c1-3-15-8-6-7-11-24(15)18(25)14-12-21-20(22-13-14)23-17-10-5-4-9-16(17)19(26)27-2/h4-5,9-10,12-13,15H,3,6-8,11H2,1-2H3,(H,21,22,23)
InChIKeyMKNOZTBSRZKUPF-UHFFFAOYSA-N
XLogP3.41
TPSA84.42 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate with MolForge

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264167
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
methyl 2-[[5-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109263144
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate (CID 109264187) is methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate is CCC1CCCCN1C(=O)c1cnc(Nc2ccccc2C(=O)OC)nc1.
What is the InChIKey of methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
The InChIKey is MKNOZTBSRZKUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-15-8-6-7-11-24(15)18(25)14-12-21-20(22-13-14)23-17-10-5-4-9-16(17)19(26)27-2/h4-5,9-10,12-13,15H,3,6-8,11H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate has a molecular weight of 368.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate is sourced from PubChem (CID 109264187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).