N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide

C19H20N4O2 — CID 51332998

IUPACN-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N4O2/c1-12(2)18(24)21-14-9-7-13(8-10-14)11-20-19(25)17-15-5-3-4-6-16(15)22-23-17/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyMHYRMABPKPCNTL-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.09
Rot. Bonds5

About N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 51332998) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
PubChem CID51332998
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N4O2/c1-12(2)18(24)21-14-9-7-13(8-10-14)11-20-19(25)17-15-5-3-4-6-16(15)22-23-17/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyMHYRMABPKPCNTL-UHFFFAOYSA-N
XLogP3.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide (CID 51332998) is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide is CC(C)C(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is MHYRMABPKPCNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)18(24)21-14-9-7-13(8-10-14)11-20-19(25)17-15-5-3-4-6-16(15)22-23-17/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 51332998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).