ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate

C20H18N4O4 — CID 5245552

IUPACethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cc(-c3cccc(C(=O)OCC)n3)ncn2)n1
InChIInChI=1S/C20H18N4O4/c1-3-27-19(25)15-9-5-7-13(23-15)17-11-18(22-12-21-17)14-8-6-10-16(24-14)20(26)28-4-2/h5-12H,3-4H2,1-2H3
InChIKeyHVTBWJAPNIEIPK-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.95
Rot. Bonds6

About ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate

ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate (PubChem CID 5245552) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate
PubChem CID5245552
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Nameethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cc(-c3cccc(C(=O)OCC)n3)ncn2)n1
InChIInChI=1S/C20H18N4O4/c1-3-27-19(25)15-9-5-7-13(23-15)17-11-18(22-12-21-17)14-8-6-10-16(24-14)20(26)28-4-2/h5-12H,3-4H2,1-2H3
InChIKeyHVTBWJAPNIEIPK-UHFFFAOYSA-N
XLogP2.95
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
Ethyl 6-({6-[6-(ethoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 5023417
6-(hydroxymethyl)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-2-pyridinecarboxamide
CID 56918580
Methyl 6-({6-[6-(methoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 3969909
Ethyl 6-phenylpyrimidine-4-carboxylate
CID 12582967
Methyl 4-[[4-amino-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]pyridine-2-carboxylate
CID 121383831
Ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate
CID 102348562
Methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate
CID 123654209
Ethyl 6-ferrocenyl-pyrimidine-4-carboxylate
CID 129748226
Ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate
CID 135026701
Benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate
CID 135026702
Ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate
CID 138983049

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate (CID 5245552) is ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cc(-c3cccc(C(=O)OCC)n3)ncn2)n1.
What is the InChIKey of ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate?
The InChIKey is HVTBWJAPNIEIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-3-27-19(25)15-9-5-7-13(23-15)17-11-18(22-12-21-17)14-8-6-10-16(24-14)20(26)28-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate?
ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate has a molecular weight of 378.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 5245552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).