3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide

C25H24N4O2 — CID 135415859

IUPAC3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
SMILESCN(C)Cc1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C25H24N4O2/c1-29(2)15-16-8-11-19(12-9-16)27-23(17-6-4-3-5-7-17)22-20-14-18(24(26)30)10-13-21(20)28-25(22)31/h3-14,28,31H,15H2,1-2H3,(H2,26,30)/b27-23+
InChIKeyIGYZKLCXSUQRBY-SLEBQGDGSA-N
MW412.49 g/mol
LogP4.20
Rot. Bonds6

About 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide

3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide (PubChem CID 135415859) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
PubChem CID135415859
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
SMILESCN(C)Cc1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccc(C(N)=O)cc23)cc1
InChIInChI=1S/C25H24N4O2/c1-29(2)15-16-8-11-19(12-9-16)27-23(17-6-4-3-5-7-17)22-20-14-18(24(26)30)10-13-21(20)28-25(22)31/h3-14,28,31H,15H2,1-2H3,(H2,26,30)/b27-23+
InChIKeyIGYZKLCXSUQRBY-SLEBQGDGSA-N
XLogP4.20
TPSA94.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N-propyl-1H-indole-5-carboxamide
CID 135618663
N-(2,2-difluoroethyl)-3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxamide
CID 136592440
3-[4-[N-[4-[(dimethylamino)methyl]phenyl]-C-(6-fluoro-2-hydroxy-1H-indol-3-yl)carbonimidoyl]phenyl]propanoic acid;hydrochloride
CID 135885079
3-[4-[C-(6-chloro-2-hydroxy-1H-indol-3-yl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]phenyl]propanoic acid
CID 135481790
3-[N-[4-[[benzyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-5,6-dimethoxy-1H-indol-2-ol
CID 135543830
ethyl 3-[N-[4-[[benzyl(ethyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135838016
1-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethanone
CID 135622117
sodium 3-[4-[N-[4-[(dimethylamino)methyl]phenyl]-C-(6-fluoro-2-hydroxy-1H-indol-3-yl)carbonimidoyl]phenyl]propanoate
CID 135937874
ethyl 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135837875
tert-butyl N-[[4-[[(6-fluoro-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]methyl]-N-methylcarbamate
CID 140505416
acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
CID 135415860
3-[N-[4-[3-[benzyl(methyl)amino]propoxy]phenyl]-C-phenylcarbonimidoyl]-1H-indol-2-ol
CID 135622078

Frequently Asked Questions

What is the IUPAC name of 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide?
The IUPAC name of 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide (CID 135415859) is 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide?
The canonical SMILES for 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide is CN(C)Cc1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccc(C(N)=O)cc23)cc1.
What is the InChIKey of 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide?
The InChIKey is IGYZKLCXSUQRBY-SLEBQGDGSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29(2)15-16-8-11-19(12-9-16)27-23(17-6-4-3-5-7-17)22-20-14-18(24(26)30)10-13-21(20)28-25(22)31/h3-14,28,31H,15H2,1-2H3,(H2,26,30)/b27-23+.
What are the key properties of 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide?
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide is sourced from PubChem (CID 135415859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).