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

C19H20N4O2 — CID 78868598

IUPAC5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2c1
InChIInChI=1S/C19H20N4O2/c1-11(2)18(24)20-13-5-7-14(8-6-13)21-19(25)17-15-10-12(3)4-9-16(15)22-23-17/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyAQVHYPQDIANQIH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.72
Rot. Bonds4

About 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide

5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide (PubChem CID 78868598) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
PubChem CID78868598
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2c1
InChIInChI=1S/C19H20N4O2/c1-11(2)18(24)20-13-5-7-14(8-6-13)21-19(25)17-15-10-12(3)4-9-16(15)22-23-17/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyAQVHYPQDIANQIH-UHFFFAOYSA-N
XLogP3.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
CID 78865849
5-methyl-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 29107106
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866429
N-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859198
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 86846212
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide (CID 78868598) is 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2c1.
What is the InChIKey of 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is AQVHYPQDIANQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11(2)18(24)20-13-5-7-14(8-6-13)21-19(25)17-15-10-12(3)4-9-16(15)22-23-17/h4-11H,1-3H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide?
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78868598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).