ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate

C18H19N3O3 — CID 109223741

IUPACethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)15-5-3-4-6-16(15)20-14-9-12(10-19-11-14)17(22)21-13-7-8-13/h3-6,9-11,13,20H,2,7-8H2,1H3,(H,21,22)
InChIKeyFRMWYKNNAVXNJX-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate

ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109223741) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109223741
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)15-5-3-4-6-16(15)20-14-9-12(10-19-11-14)17(22)21-13-7-8-13/h3-6,9-11,13,20H,2,7-8H2,1H3,(H,21,22)
InChIKeyFRMWYKNNAVXNJX-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242711
ethyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231144
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
ethyl 2-[[5-(2,4-difluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109246267
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223742
ethyl 2-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339404
methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109223741) is ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1cncc(C(=O)NC2CC2)c1.
What is the InChIKey of ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is FRMWYKNNAVXNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-18(23)15-5-3-4-6-16(15)20-14-9-12(10-19-11-14)17(22)21-13-7-8-13/h3-6,9-11,13,20H,2,7-8H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate?
ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 325.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109223741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).