N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide

C26H32N6O3 — CID 135461383

IUPACN-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(/C=N/c3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c(O)[nH]c2c1
InChIInChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,29,35H,4,11-14,17H2,1-3H3,(H,27,34)/b28-16+
InChIKeyCJKMTYSEVXUKSI-LQKURTRISA-N
MW476.58 g/mol
LogP2.58
Rot. Bonds7

About N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide

N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide (PubChem CID 135461383) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide
PubChem CID135461383
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC NameN-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(/C=N/c3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c(O)[nH]c2c1
InChIInChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,29,35H,4,11-14,17H2,1-3H3,(H,27,34)/b28-16+
InChIKeyCJKMTYSEVXUKSI-LQKURTRISA-N
XLogP2.58
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide (CID 135461383) is N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide is CCNC(=O)c1ccc2c(/C=N/c3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c(O)[nH]c2c1.
What is the InChIKey of N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide?
The InChIKey is CJKMTYSEVXUKSI-LQKURTRISA-N. The full InChI is InChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,29,35H,4,11-14,17H2,1-3H3,(H,27,34)/b28-16+.
What are the key properties of N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide?
N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]iminomethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 135461383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).