N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide

C15H12N4O — CID 5488

IUPACN-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1ccncc1
InChIInChI=1S/C15H12N4O/c20-15(11-5-7-16-8-6-11)19-18-10-12-9-17-14-4-2-1-3-13(12)14/h1-10,17H,(H,19,20)
InChIKeyYRXIZOPHHNNLIT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.33
Rot. Bonds3

About N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide

N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide (PubChem CID 5488) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
PubChem CID5488
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1ccncc1
InChIInChI=1S/C15H12N4O/c20-15(11-5-7-16-8-6-11)19-18-10-12-9-17-14-4-2-1-3-13(12)14/h1-10,17H,(H,19,20)
InChIKeyYRXIZOPHHNNLIT-UHFFFAOYSA-N
XLogP2.33
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.33
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-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide (CID 5488) is N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide is O=C(NN=Cc1c[nH]c2ccccc12)c1ccncc1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide?
The InChIKey is YRXIZOPHHNNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(11-5-7-16-8-6-11)19-18-10-12-9-17-14-4-2-1-3-13(12)14/h1-10,17H,(H,19,20).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide?
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 5488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).