1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea

C18H23N5O2 — CID 75505367

IUPAC1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCn1ccnc(NC(=O)NC(CN2CCCC2)c2ccccc2)c1=O
InChIInChI=1S/C18H23N5O2/c1-22-12-9-19-16(17(22)24)21-18(25)20-15(13-23-10-5-6-11-23)14-7-3-2-4-8-14/h2-4,7-9,12,15H,5-6,10-11,13H2,1H3,(H2,19,20,21,25)
InChIKeyTXFVNBSDKAZOLK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.74
Rot. Bonds5

About 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea

1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 75505367) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID75505367
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCn1ccnc(NC(=O)NC(CN2CCCC2)c2ccccc2)c1=O
InChIInChI=1S/C18H23N5O2/c1-22-12-9-19-16(17(22)24)21-18(25)20-15(13-23-10-5-6-11-23)14-7-3-2-4-8-14/h2-4,7-9,12,15H,5-6,10-11,13H2,1H3,(H2,19,20,21,25)
InChIKeyTXFVNBSDKAZOLK-UHFFFAOYSA-N
XLogP1.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
CID 97261191
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
(E)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 25020781
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 75505367) is 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea is Cn1ccnc(NC(=O)NC(CN2CCCC2)c2ccccc2)c1=O.
What is the InChIKey of 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is TXFVNBSDKAZOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-12-9-19-16(17(22)24)21-18(25)20-15(13-23-10-5-6-11-23)14-7-3-2-4-8-14/h2-4,7-9,12,15H,5-6,10-11,13H2,1H3,(H2,19,20,21,25).
What are the key properties of 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 341.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 75505367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).