N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H20N4O — CID 136732980

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C22H20N4O/c27-22(26-24-13-15-12-23-19-7-3-1-5-16(15)19)14-9-10-21-18(11-14)17-6-2-4-8-20(17)25-21/h1,3,5,7,9-13,23,25H,2,4,6,8H2,(H,26,27)/b24-13+
InChIKeyMIZLAXUKUJSVCK-ZMOGYAJESA-N
MW356.43 g/mol
LogP4.29
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 136732980) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID136732980
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C22H20N4O/c27-22(26-24-13-15-12-23-19-7-3-1-5-16(15)19)14-9-10-21-18(11-14)17-6-2-4-8-20(17)25-21/h1,3,5,7,9-13,23,25H,2,4,6,8H2,(H,26,27)/b24-13+
InChIKeyMIZLAXUKUJSVCK-ZMOGYAJESA-N
XLogP4.29
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110510740
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110336948
N-[(Z)-furan-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538210
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787247
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 136732980) is N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is MIZLAXUKUJSVCK-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(26-24-13-15-12-23-19-7-3-1-5-16(15)19)14-9-10-21-18(11-14)17-6-2-4-8-20(17)25-21/h1,3,5,7,9-13,23,25H,2,4,6,8H2,(H,26,27)/b24-13+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 136732980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).