1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea

C14H23N5O2 — CID 53185738

IUPAC1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C14H23N5O2/c1-4-6-17-14(20)18(2)11-5-9-19(10-11)12-13(21-3)16-8-7-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyOKMVVJHWHLXFQF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.12
Rot. Bonds5

About 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea

1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea (PubChem CID 53185738) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea
PubChem CID53185738
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C14H23N5O2/c1-4-6-17-14(20)18(2)11-5-9-19(10-11)12-13(21-3)16-8-7-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyOKMVVJHWHLXFQF-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 24816197
2-Ethoxy-1-{4-[(3-methoxypyrazin-2-YL)amino]piperidin-1-YL}ethan-1-one
CID 53185544
N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
CID 53185573
N-Ethyl-4-[(3-propoxypyrazin-2-YL)amino]piperidine-1-carboxamide
CID 87053026
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161
6-(1-methylpyrrolidin-3-yl)oxy-N-propan-2-ylpyrazin-2-amine
CID 172434791
N-propan-2-yl-3-pyrrolidin-3-yloxypyrazin-2-amine
CID 172438002
N-Cyclopentyl-4-[(3-methoxypyrazin-2-YL)amino]piperidine-1-carboxamide
CID 53185576
N-(3-methoxy-2-pyrazinyl)-N-(4-piperidyl)amine
CID 53185593
4-[(3-Ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 87053006
1-(3-Ethoxypyrazin-2-yl)pyrrolidin-3-amine
CID 53185751
N-(3-Methoxypropyl)-4-[(3-methoxypyrazin-2-YL)amino]piperidine-1-carboxamide
CID 53185575

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
The IUPAC name of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea (CID 53185738) is 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea is CCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1.
What is the InChIKey of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
The InChIKey is OKMVVJHWHLXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-6-17-14(20)18(2)11-5-9-19(10-11)12-13(21-3)16-8-7-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20).
What are the key properties of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea has a molecular weight of 293.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea is sourced from PubChem (CID 53185738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).