N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide

C26H29N5O2 — CID 111974104

IUPACN-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCCN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)NCCc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C26H29N5O2/c1-3-27-26(28-13-12-20-17-29-23-15-18(2)6-11-22(20)23)30-16-19-7-9-21(10-8-19)31-25(32)24-5-4-14-33-24/h4-11,14-15,17,29H,3,12-13,16H2,1-2H3,(H,31,32)(H2,27,28,30)
InChIKeyMZCYTQZRXRCNME-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.62
Rot. Bonds8

About N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 111974104) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID111974104
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCCN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)NCCc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C26H29N5O2/c1-3-27-26(28-13-12-20-17-29-23-15-18(2)6-11-22(20)23)30-16-19-7-9-21(10-8-19)31-25(32)24-5-4-14-33-24/h4-11,14-15,17,29H,3,12-13,16H2,1-2H3,(H,31,32)(H2,27,28,30)
InChIKeyMZCYTQZRXRCNME-UHFFFAOYSA-N
XLogP4.62
TPSA94.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[[ethylamino-[(4-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111244092
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974144
1-ethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974271
N-[3-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111973948
N-ethyl-4-[[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 111888089
N-[4-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110937518
N-[4-[[[(4-ethoxybutylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111945507
N-[4-[[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111372422
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973908
N-[2-[[N'-[(2,4-dimethylphenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111938261
N-[3-[[[ethylamino(propylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111226101
4-[[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 110995217

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide (CID 111974104) is N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide is CCN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)NCCc1c[nH]c2cc(C)ccc12.
What is the InChIKey of N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is MZCYTQZRXRCNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-3-27-26(28-13-12-20-17-29-23-15-18(2)6-11-22(20)23)30-16-19-7-9-21(10-8-19)31-25(32)24-5-4-14-33-24/h4-11,14-15,17,29H,3,12-13,16H2,1-2H3,(H,31,32)(H2,27,28,30).
What are the key properties of N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 111974104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).