N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide

C19H22N4O — CID 47827735

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N4O/c1-3-23(2)13-15-8-6-7-14(11-15)12-20-19(24)18-16-9-4-5-10-17(16)21-22-18/h4-11H,3,12-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyXPHDAUJQCHGWJH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.94
Rot. Bonds6

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 47827735) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
PubChem CID47827735
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N4O/c1-3-23(2)13-15-8-6-7-14(11-15)12-20-19(24)18-16-9-4-5-10-17(16)21-22-18/h4-11H,3,12-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyXPHDAUJQCHGWJH-UHFFFAOYSA-N
XLogP2.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]isoquinoline-1-carboxamide
CID 52822157
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide
CID 166329995
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 136579455
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 51135167
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide (CID 47827735) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide is CCN(C)Cc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is XPHDAUJQCHGWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-23(2)13-15-8-6-7-14(11-15)12-20-19(24)18-16-9-4-5-10-17(16)21-22-18/h4-11H,3,12-13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 47827735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).