pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

C20H22N4O3 — CID 21242478

IUPACpyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)OCc2cccnc2)c1
InChIInChI=1S/C20H22N4O3/c1-12(2)20(4)19(26)23-17(24-20)16-15(8-13(3)9-22-16)18(25)27-11-14-6-5-7-21-10-14/h5-10,12H,11H2,1-4H3,(H,23,24,26)
InChIKeyGWWQXOHDXORVCD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.43
Rot. Bonds5

About pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (PubChem CID 21242478) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
PubChem CID21242478
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Namepyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)OCc2cccnc2)c1
InChIInChI=1S/C20H22N4O3/c1-12(2)20(4)19(26)23-17(24-20)16-15(8-13(3)9-22-16)18(25)27-11-14-6-5-7-21-10-14/h5-10,12H,11H2,1-4H3,(H,23,24,26)
InChIKeyGWWQXOHDXORVCD-UHFFFAOYSA-N
XLogP2.43
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (CID 21242478) is pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is Cc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)OCc2cccnc2)c1.
What is the InChIKey of pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is GWWQXOHDXORVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12(2)20(4)19(26)23-17(24-20)16-15(8-13(3)9-22-16)18(25)27-11-14-6-5-7-21-10-14/h5-10,12H,11H2,1-4H3,(H,23,24,26).
What are the key properties of pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 21242478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).