1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea

C19H22N4O2 — CID 43969641

IUPAC1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C19H22N4O2/c1-12-7-8-16(9-13(12)2)23-11-15(10-18(23)24)21-19(25)22-17-6-4-5-14(3)20-17/h4-9,15H,10-11H2,1-3H3,(H2,20,21,22,25)
InChIKeyVXFTYOYXFXKASU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds3

About 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea

1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 43969641) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID43969641
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C19H22N4O2/c1-12-7-8-16(9-13(12)2)23-11-15(10-18(23)24)21-19(25)22-17-6-4-5-14(3)20-17/h4-9,15H,10-11H2,1-3H3,(H2,20,21,22,25)
InChIKeyVXFTYOYXFXKASU-UHFFFAOYSA-N
XLogP2.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 16819747
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 7543680
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
1-(3,4-dichlorophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543572
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649
1-(4-bromophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543479
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215092
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 7552537
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43969606
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
methyl N-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]carbamate
CID 7543831

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea (CID 43969641) is 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)n1.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is VXFTYOYXFXKASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-7-8-16(9-13(12)2)23-11-15(10-18(23)24)21-19(25)22-17-6-4-5-14(3)20-17/h4-9,15H,10-11H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea?
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 338.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 43969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).