N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide

C16H16N4O — CID 110468742

IUPACN-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cccc3[nH]ncc23)c1
InChIInChI=1S/C16H16N4O/c1-20(2)12-6-3-5-11(9-12)18-16(21)13-7-4-8-15-14(13)10-17-19-15/h3-10H,1-2H3,(H,17,19)(H,18,21)
InChIKeyYQDCFKPPMITQPM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.88
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide

N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide (PubChem CID 110468742) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide
PubChem CID110468742
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cccc3[nH]ncc23)c1
InChIInChI=1S/C16H16N4O/c1-20(2)12-6-3-5-11(9-12)18-16(21)13-7-4-8-15-14(13)10-17-19-15/h3-10H,1-2H3,(H,17,19)(H,18,21)
InChIKeyYQDCFKPPMITQPM-UHFFFAOYSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indazole-4-carboxamide
CID 47381995
N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484314
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
CID 172894549
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide (CID 110468742) is N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide is CN(C)c1cccc(NC(=O)c2cccc3[nH]ncc23)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide?
The InChIKey is YQDCFKPPMITQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)12-6-3-5-11(9-12)18-16(21)13-7-4-8-15-14(13)10-17-19-15/h3-10H,1-2H3,(H,17,19)(H,18,21).
What are the key properties of N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide?
N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 110468742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).