ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate

C16H16N4O4 — CID 71119003

IUPACethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1NC(=O)c1ccncc1NC(C)=O
InChIInChI=1S/C16H16N4O4/c1-3-24-16(23)12-5-7-18-9-14(12)20-15(22)11-4-6-17-8-13(11)19-10(2)21/h4-9H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFWQXRJUDGDHPQO-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.86
Rot. Bonds5

About ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate

ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 71119003) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
PubChem CID71119003
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Nameethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1NC(=O)c1ccncc1NC(C)=O
InChIInChI=1S/C16H16N4O4/c1-3-24-16(23)12-5-7-18-9-14(12)20-15(22)11-4-6-17-8-13(11)19-10(2)21/h4-9H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFWQXRJUDGDHPQO-UHFFFAOYSA-N
XLogP1.86
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
CID 156760612
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
N-(4-ethoxyphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071538
ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
CID 102503713
ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
CID 121302791
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105067886
N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068441
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
3-(methylamino)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105068062

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate (CID 71119003) is ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccncc1NC(=O)c1ccncc1NC(C)=O.
What is the InChIKey of ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is FWQXRJUDGDHPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-3-24-16(23)12-5-7-18-9-14(12)20-15(22)11-4-6-17-8-13(11)19-10(2)21/h4-9H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate?
ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 71119003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).