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

C18H18N4O2 — CID 78865849

IUPAC5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C18H18N4O2/c1-11-3-8-15-14(9-11)17(22-21-15)18(24)20-13-6-4-12(5-7-13)10-16(23)19-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyILXYUMIZHFCHJQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.41
Rot. Bonds4

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

5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide (PubChem CID 78865849) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
PubChem CID78865849
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C18H18N4O2/c1-11-3-8-15-14(9-11)17(22-21-15)18(24)20-13-6-4-12(5-7-13)10-16(23)19-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyILXYUMIZHFCHJQ-UHFFFAOYSA-N
XLogP2.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866429
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
5-methyl-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 29107106
N-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859198
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 86846212
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 38404382

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide (CID 78865849) is 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide is CNC(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide?
The InChIKey is ILXYUMIZHFCHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-3-8-15-14(9-11)17(22-21-15)18(24)20-13-6-4-12(5-7-13)10-16(23)19-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide?
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.41, 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-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78865849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).