methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate

C17H20N4O3 — CID 166613973

IUPACmethyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(CC2CCN(c3cc(OC)ncn3)C2)c1
InChIInChI=1S/C17H20N4O3/c1-23-16-7-15(19-11-20-16)21-4-3-12(10-21)5-13-6-14(9-18-8-13)17(22)24-2/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyPXZDZOIUZBHVAC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.74
Rot. Bonds5

About methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate

methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate (PubChem CID 166613973) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
PubChem CID166613973
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(CC2CCN(c3cc(OC)ncn3)C2)c1
InChIInChI=1S/C17H20N4O3/c1-23-16-7-15(19-11-20-16)21-4-3-12(10-21)5-13-6-14(9-18-8-13)17(22)24-2/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyPXZDZOIUZBHVAC-UHFFFAOYSA-N
XLogP1.74
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
formic acid;methyl 5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 172896748
methyl 5-[[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 166623600
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992977
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate (CID 166613973) is methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate is COC(=O)c1cncc(CC2CCN(c3cc(OC)ncn3)C2)c1.
What is the InChIKey of methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate?
The InChIKey is PXZDZOIUZBHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-16-7-15(19-11-20-16)21-4-3-12(10-21)5-13-6-14(9-18-8-13)17(22)24-2/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate?
methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 166613973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).