N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide

C14H12N4O — CID 135475143

IUPACN-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N4O/c19-14(18-17-8-10-4-3-7-15-10)12-9-16-13-6-2-1-5-11(12)13/h1-9,15-16H,(H,18,19)/b17-8+
InChIKeyOCBMMAIVIAUVRI-CAOOACKPSA-N
MW252.28 g/mol
LogP2.26
Rot. Bonds3

About N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide

N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide (PubChem CID 135475143) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide
PubChem CID135475143
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N4O/c19-14(18-17-8-10-4-3-7-15-10)12-9-16-13-6-2-1-5-11(12)13/h1-9,15-16H,(H,18,19)/b17-8+
InChIKeyOCBMMAIVIAUVRI-CAOOACKPSA-N
XLogP2.26
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
Indoramin
CID 33625
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
Indole-5-carboxamide
CID 14973220
3-Acetylindole
CID 12802
Tryptamide
CID 65768
1H-indole-3-carboxamide
CID 2192542
5-Fluoro CUMYL-PICA
CID 117650397
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
5-Carboxamidotryptamine
CID 1809

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide (CID 135475143) is N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1ccc[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is OCBMMAIVIAUVRI-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(18-17-8-10-4-3-7-15-10)12-9-16-13-6-2-1-5-11(12)13/h1-9,15-16H,(H,18,19)/b17-8+.
What are the key properties of N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide?
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 135475143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).