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

C19H21N5O2 — CID 46226264

IUPAC2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C19H21N5O2/c1-23(2)11-10-21-19(26)13-6-8-15(9-7-13)24-12-14-4-3-5-16(18(20)25)17(14)22-24/h3-9,12H,10-11H2,1-2H3,(H2,20,25)(H,21,26)
InChIKeyPZOVYFCELJRSFM-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.42
Rot. Bonds6

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

2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide (PubChem CID 46226264) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide
PubChem CID46226264
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C19H21N5O2/c1-23(2)11-10-21-19(26)13-6-8-15(9-7-13)24-12-14-4-3-5-16(18(20)25)17(14)22-24/h3-9,12H,10-11H2,1-2H3,(H2,20,25)(H,21,26)
InChIKeyPZOVYFCELJRSFM-UHFFFAOYSA-N
XLogP1.42
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide (CID 46226264) is 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide is CN(C)CCNC(=O)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide?
The InChIKey is PZOVYFCELJRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23(2)11-10-21-19(26)13-6-8-15(9-7-13)24-12-14-4-3-5-16(18(20)25)17(14)22-24/h3-9,12H,10-11H2,1-2H3,(H2,20,25)(H,21,26).
What are the key properties of 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide?
2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).