1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea

C17H18N4O2 — CID 169215153

IUPAC1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea
SMILESCN(C)C(=O)Nc1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C17H18N4O2/c1-20(2)17(23)19-12-6-4-5-11(9-12)14-10-21(3)16(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3,(H,19,23)
InChIKeyUMGWYIMKWVBCPA-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.63
Rot. Bonds2

About 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea

1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea (PubChem CID 169215153) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea
PubChem CID169215153
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea
SMILESCN(C)C(=O)Nc1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C17H18N4O2/c1-20(2)17(23)19-12-6-4-5-11(9-12)14-10-21(3)16(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3,(H,19,23)
InChIKeyUMGWYIMKWVBCPA-UHFFFAOYSA-N
XLogP2.63
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea (CID 169215153) is 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea is CN(C)C(=O)Nc1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea?
The InChIKey is UMGWYIMKWVBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20(2)17(23)19-12-6-4-5-11(9-12)14-10-21(3)16(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3,(H,19,23).
What are the key properties of 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea?
1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 169215153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).