1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea

C17H18N6O2 — CID 139029366

IUPAC1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)C2CN(c3nccnc3C#N)C2)c1
InChIInChI=1S/C17H18N6O2/c1-22(17(24)21-12-4-3-5-14(8-12)25-2)13-10-23(11-13)16-15(9-18)19-6-7-20-16/h3-8,13H,10-11H2,1-2H3,(H,21,24)
InChIKeyMRFJSEAFLQHZCC-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.71
Rot. Bonds4

About 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea

1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 139029366) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea
PubChem CID139029366
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)C2CN(c3nccnc3C#N)C2)c1
InChIInChI=1S/C17H18N6O2/c1-22(17(24)21-12-4-3-5-14(8-12)25-2)13-10-23(11-13)16-15(9-18)19-6-7-20-16/h3-8,13H,10-11H2,1-2H3,(H,21,24)
InChIKeyMRFJSEAFLQHZCC-UHFFFAOYSA-N
XLogP1.71
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
1-(1-isoquinolin-1-ylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-sulfanylurea
CID 87695058
1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839946
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698
1-(1,1-dioxothian-4-yl)-3-[3-(3-methoxyphenyl)phenyl]-1-methylurea
CID 118793325
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
(2R)-2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]-4-(3-methoxyanilino)-4-oxobutanoic acid
CID 95389338
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea (CID 139029366) is 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea is COc1cccc(NC(=O)N(C)C2CN(c3nccnc3C#N)C2)c1.
What is the InChIKey of 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is MRFJSEAFLQHZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22(17(24)21-12-4-3-5-14(8-12)25-2)13-10-23(11-13)16-15(9-18)19-6-7-20-16/h3-8,13H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea?
1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 338.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 139029366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).