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

C21H24N4O2 — CID 78866429

IUPACN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(5-2)19(26)13-15-7-9-16(10-8-15)22-21(27)20-17-12-14(3)6-11-18(17)23-24-20/h6-12H,4-5,13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyWLZAKGGFEYBBDL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.53
Rot. Bonds6

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

N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78866429) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78866429
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(5-2)19(26)13-15-7-9-16(10-8-15)22-21(27)20-17-12-14(3)6-11-18(17)23-24-20/h6-12H,4-5,13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyWLZAKGGFEYBBDL-UHFFFAOYSA-N
XLogP3.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
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-[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
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866013
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide
CID 78867674
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide (CID 78866429) is N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide is CCN(CC)C(=O)Cc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is WLZAKGGFEYBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25(5-2)19(26)13-15-7-9-16(10-8-15)22-21(27)20-17-12-14(3)6-11-18(17)23-24-20/h6-12H,4-5,13H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide?
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78866429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).