N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide

C26H22N4O2 — CID 57401994

IUPACN-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C26H22N4O2/c1-32-20-12-10-18(11-13-20)16-30-17-19(21-6-3-5-9-25(21)30)14-28-29-26(31)23-15-27-24-8-4-2-7-22(23)24/h2-15,17,27H,16H2,1H3,(H,29,31)/b28-14-
InChIKeyUIVJIYCLTXWRPZ-MUXKCCDJSA-N
MW422.49 g/mol
LogP4.94
Rot. Bonds6

About N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide (PubChem CID 57401994) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide
PubChem CID57401994
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C26H22N4O2/c1-32-20-12-10-18(11-13-20)16-30-17-19(21-6-3-5-9-25(21)30)14-28-29-26(31)23-15-27-24-8-4-2-7-22(23)24/h2-15,17,27H,16H2,1H3,(H,29,31)/b28-14-
InChIKeyUIVJIYCLTXWRPZ-MUXKCCDJSA-N
XLogP4.94
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide (CID 57401994) is N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide is COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is UIVJIYCLTXWRPZ-MUXKCCDJSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-32-20-12-10-18(11-13-20)16-30-17-19(21-6-3-5-9-25(21)30)14-28-29-26(31)23-15-27-24-8-4-2-7-22(23)24/h2-15,17,27H,16H2,1H3,(H,29,31)/b28-14-.
What are the key properties of N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(4-methoxyphenyl)methyl]indol-3-yl]methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 57401994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).