ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate

C19H18N4O4 — CID 176905513

IUPACethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2ccnc(NC(=O)c3cnn(C)c3)c2)c1
InChIInChI=1S/C19H18N4O4/c1-3-26-19(25)13-5-4-6-15(9-13)27-16-7-8-20-17(10-16)22-18(24)14-11-21-23(2)12-14/h4-12H,3H2,1-2H3,(H,20,22,24)
InChIKeyJMYHCQDPXOBOSA-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.04
Rot. Bonds6

About ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate

ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate (PubChem CID 176905513) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
PubChem CID176905513
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Nameethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2ccnc(NC(=O)c3cnn(C)c3)c2)c1
InChIInChI=1S/C19H18N4O4/c1-3-26-19(25)13-5-4-6-15(9-13)27-16-7-8-20-17(10-16)22-18(24)14-11-21-23(2)12-14/h4-12H,3H2,1-2H3,(H,20,22,24)
InChIKeyJMYHCQDPXOBOSA-UHFFFAOYSA-N
XLogP3.04
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 3-bromo-4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43623829
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
CID 86669549

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate?
The IUPAC name of ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate (CID 176905513) is ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate.
What is the SMILES notation for ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate?
The canonical SMILES for ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate is CCOC(=O)c1cccc(Oc2ccnc(NC(=O)c3cnn(C)c3)c2)c1.
What is the InChIKey of ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate?
The InChIKey is JMYHCQDPXOBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-3-26-19(25)13-5-4-6-15(9-13)27-16-7-8-20-17(10-16)22-18(24)14-11-21-23(2)12-14/h4-12H,3H2,1-2H3,(H,20,22,24).
What are the key properties of ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate?
ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate has a molecular weight of 366.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate is sourced from PubChem (CID 176905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).