N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide

C21H16N4O — CID 5082604

IUPACN-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccncc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16N4O/c26-21(18-14-23-19-9-5-4-8-17(18)19)25-24-20(15-6-2-1-3-7-15)16-10-12-22-13-11-16/h1-14,23H,(H,25,26)
InChIKeyXIPOKKTUUYNQFU-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.75
Rot. Bonds4

About N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide

N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide (PubChem CID 5082604) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
PubChem CID5082604
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccncc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16N4O/c26-21(18-14-23-19-9-5-4-8-17(18)19)25-24-20(15-6-2-1-3-7-15)16-10-12-22-13-11-16/h1-14,23H,(H,25,26)
InChIKeyXIPOKKTUUYNQFU-UHFFFAOYSA-N
XLogP3.75
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 27876405
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704

Frequently Asked Questions

What is the IUPAC name of N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide?
The IUPAC name of N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide (CID 5082604) is N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide is O=C(NN=C(c1ccccc1)c1ccncc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide?
The InChIKey is XIPOKKTUUYNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(18-14-23-19-9-5-4-8-17(18)19)25-24-20(15-6-2-1-3-7-15)16-10-12-22-13-11-16/h1-14,23H,(H,25,26).
What are the key properties of N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide?
N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5082604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).