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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Related Compounds

4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334596
3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
CID 167033017
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
6-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334626
4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 134258787
N-methyl-N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]propanamide
CID 171083432
4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121334630
6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334620
N-[3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methanesulfinamide
CID 134310849
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
6-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
CID 145081735
4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide
CID 141436482

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).