N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C21H19N5O2 — CID 108797937

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCc1cc(C)nc(Nc2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4)cc2)n1
InChIInChI=1S/C21H19N5O2/c1-12-9-13(2)23-21(22-12)25-17-6-4-16(5-7-17)24-20(28)14-3-8-18-15(10-14)11-19(27)26-18/h3-10H,11H2,1-2H3,(H,24,28)(H,26,27)(H,22,23,25)
InChIKeyMZJSCBNQGFYUCF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.58
Rot. Bonds4

About N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108797937) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108797937
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCc1cc(C)nc(Nc2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4)cc2)n1
InChIInChI=1S/C21H19N5O2/c1-12-9-13(2)23-21(22-12)25-17-6-4-16(5-7-17)24-20(28)14-3-8-18-15(10-14)11-19(27)26-18/h3-10H,11H2,1-2H3,(H,24,28)(H,26,27)(H,22,23,25)
InChIKeyMZJSCBNQGFYUCF-UHFFFAOYSA-N
XLogP3.58
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
N-[4-(diethylsulfamoyl)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797900
2,4-dimethyl-N-(2-oxo-1,3-dihydroindol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121328769
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
CID 162521066
N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784695
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784648
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678
N-(3-bromo-4-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103874392
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108797937) is N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is Cc1cc(C)nc(Nc2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is MZJSCBNQGFYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-9-13(2)23-21(22-12)25-17-6-4-16(5-7-17)24-20(28)14-3-8-18-15(10-14)11-19(27)26-18/h3-10H,11H2,1-2H3,(H,24,28)(H,26,27)(H,22,23,25).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108797937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).