ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate

C18H19N3O3 — CID 113022585

IUPACethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)14-5-3-4-6-15(14)21-16-10-9-13(11-19-16)20-17(22)12-7-8-12/h3-6,9-12H,2,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyABGFICXNLDLPKD-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.35
Rot. Bonds6

About ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate

ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate (PubChem CID 113022585) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
PubChem CID113022585
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)14-5-3-4-6-15(14)21-16-10-9-13(11-19-16)20-17(22)12-7-8-12/h3-6,9-12H,2,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyABGFICXNLDLPKD-UHFFFAOYSA-N
XLogP3.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
N-[6-(2-ethylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017402
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate (CID 113022585) is ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is ABGFICXNLDLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-18(23)14-5-3-4-6-15(14)21-16-10-9-13(11-19-16)20-17(22)12-7-8-12/h3-6,9-12H,2,7-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate?
ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate has a molecular weight of 325.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113022585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).