2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide

C18H19N5O2 — CID 46226300

IUPAC2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C18H19N5O2/c1-22(2)11-16(24)20-13-6-8-14(9-7-13)23-10-12-4-3-5-15(18(19)25)17(12)21-23/h3-10H,11H2,1-2H3,(H2,19,25)(H,20,24)
InChIKeyCWVORNSWNQPHQU-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide

2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide (PubChem CID 46226300) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide
PubChem CID46226300
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C18H19N5O2/c1-22(2)11-16(24)20-13-6-8-14(9-7-13)23-10-12-4-3-5-15(18(19)25)17(12)21-23/h3-10H,11H2,1-2H3,(H2,19,25)(H,20,24)
InChIKeyCWVORNSWNQPHQU-UHFFFAOYSA-N
XLogP1.62
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
App-butinaca
CID 154735174
2-[3-[[4-(4-Butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetic acid
CID 66575818
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
2-(2-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549373
2-(3-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549374
2-(4-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549375
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide (CID 46226300) is 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide is CN(C)CC(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide?
The InChIKey is CWVORNSWNQPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22(2)11-16(24)20-13-6-8-14(9-7-13)23-10-12-4-3-5-15(18(19)25)17(12)21-23/h3-10H,11H2,1-2H3,(H2,19,25)(H,20,24).
What are the key properties of 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide?
2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).