1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea

C14H17ClN6O3 — CID 24966716

IUPAC1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea
SMILESCN(C)CCOc1cncc(NC(=O)Nc2cc(Cl)c[nH]c2=O)n1
InChIInChI=1S/C14H17ClN6O3/c1-21(2)3-4-24-12-8-16-7-11(19-12)20-14(23)18-10-5-9(15)6-17-13(10)22/h5-8H,3-4H2,1-2H3,(H,17,22)(H2,18,19,20,23)
InChIKeyOSMIVQJFIOZSIR-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.40
Rot. Bonds6

About 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea

1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea (PubChem CID 24966716) has the molecular formula C14H17ClN6O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea
PubChem CID24966716
Molecular FormulaC14H17ClN6O3
Molecular Weight352.78 g/mol
Exact Mass352.11
IUPAC Name1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea
SMILESCN(C)CCOc1cncc(NC(=O)Nc2cc(Cl)c[nH]c2=O)n1
InChIInChI=1S/C14H17ClN6O3/c1-21(2)3-4-24-12-8-16-7-11(19-12)20-14(23)18-10-5-9(15)6-17-13(10)22/h5-8H,3-4H2,1-2H3,(H,17,22)(H2,18,19,20,23)
InChIKeyOSMIVQJFIOZSIR-UHFFFAOYSA-N
XLogP1.40
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea?
The IUPAC name of 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea (CID 24966716) is 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea?
The canonical SMILES for 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea is CN(C)CCOc1cncc(NC(=O)Nc2cc(Cl)c[nH]c2=O)n1.
What is the InChIKey of 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea?
The InChIKey is OSMIVQJFIOZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O3/c1-21(2)3-4-24-12-8-16-7-11(19-12)20-14(23)18-10-5-9(15)6-17-13(10)22/h5-8H,3-4H2,1-2H3,(H,17,22)(H2,18,19,20,23).
What are the key properties of 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea?
1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea has a molecular weight of 352.78 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-oxo-1H-pyridin-3-yl)-3-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]urea is sourced from PubChem (CID 24966716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).