methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate

C20H18N4O3 — CID 178112104

IUPACmethyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(C3CC3)ncc(-c3ccccn3)c2=O)nc1
InChIInChI=1S/C20H18N4O3/c1-27-20(26)14-7-8-15(22-10-14)12-24-18(13-5-6-13)23-11-16(19(24)25)17-4-2-3-9-21-17/h2-4,7-11,13H,5-6,12H2,1H3
InChIKeyVHBSUDOETSONEO-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.41
Rot. Bonds5

About methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate

methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate (PubChem CID 178112104) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate
PubChem CID178112104
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(C3CC3)ncc(-c3ccccn3)c2=O)nc1
InChIInChI=1S/C20H18N4O3/c1-27-20(26)14-7-8-15(22-10-14)12-24-18(13-5-6-13)23-11-16(19(24)25)17-4-2-3-9-21-17/h2-4,7-11,13H,5-6,12H2,1H3
InChIKeyVHBSUDOETSONEO-UHFFFAOYSA-N
XLogP2.41
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[(5-bromo-2-cyclopropyl-6-oxopyrimidin-1-yl)methyl]pyridine-3-carboxylate
CID 178112022
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 6-[[5-(2,2-difluoroethoxy)-6-oxo-2-phenylpyrimidin-1-yl]methyl]pyridine-3-carboxylate
CID 178112191
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
CID 113282021
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate
CID 126506727
methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate
CID 107160829
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate (CID 178112104) is methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(Cn2c(C3CC3)ncc(-c3ccccn3)c2=O)nc1.
What is the InChIKey of methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate?
The InChIKey is VHBSUDOETSONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-20(26)14-7-8-15(22-10-14)12-24-18(13-5-6-13)23-11-16(19(24)25)17-4-2-3-9-21-17/h2-4,7-11,13H,5-6,12H2,1H3.
What are the key properties of methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate?
methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-cyclopropyl-6-oxo-5-pyridin-2-ylpyrimidin-1-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 178112104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).