ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate

C19H22N4O3 — CID 109250266

IUPACethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C19H22N4O3/c1-2-26-18(25)15-8-4-5-9-16(15)22-17(24)14-12-20-19(21-13-14)23-10-6-3-7-11-23/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,22,24)
InChIKeyZYRJRHYVTFWSNV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate

ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate (PubChem CID 109250266) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
PubChem CID109250266
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C19H22N4O3/c1-2-26-18(25)15-8-4-5-9-16(15)22-17(24)14-12-20-19(21-13-14)23-10-6-3-7-11-23/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,22,24)
InChIKeyZYRJRHYVTFWSNV-UHFFFAOYSA-N
XLogP2.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109252285
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
ethyl 2-[[2-[benzyl(methyl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109256866
ethyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoate
CID 7922521
ethyl 2-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109265855
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
ethyl 2-[[2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate
CID 50826180
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-(piperidine-1-carbothioylamino)benzoate
CID 12005435
ethyl 2-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate (CID 109250266) is ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is ZYRJRHYVTFWSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-18(25)15-8-4-5-9-16(15)22-17(24)14-12-20-19(21-13-14)23-10-6-3-7-11-23/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate?
ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 109250266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).