N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide

C19H20N4O2 — CID 30694461

IUPACN-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)18(25)21-13-8-6-7-12(11-13)20-17(24)16-14-9-4-5-10-15(14)22-23-16/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDCVRBDVHHLHYOE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.80
Rot. Bonds3

About N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide

N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide (PubChem CID 30694461) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
PubChem CID30694461
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)18(25)21-13-8-6-7-12(11-13)20-17(24)16-14-9-4-5-10-15(14)22-23-16/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDCVRBDVHHLHYOE-UHFFFAOYSA-N
XLogP3.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
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N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
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N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
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N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
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CID 170858629

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide (CID 30694461) is N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is DCVRBDVHHLHYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,3)18(25)21-13-8-6-7-12(11-13)20-17(24)16-14-9-4-5-10-15(14)22-23-16/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 30694461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).