N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide

C23H19N5O2 — CID 155807222

IUPACN-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2[nH]c3ccccc3c2/C=N/NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H19N5O2/c1-15(29)26-18-8-4-6-16(12-18)22-20(19-9-2-3-10-21(19)27-22)14-25-28-23(30)17-7-5-11-24-13-17/h2-14,27H,1H3,(H,26,29)(H,28,30)/b25-14+
InChIKeyCTVYYPQEAFCAMG-AFUMVMLFSA-N
MW397.44 g/mol
LogP3.95
Rot. Bonds5

About N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 155807222) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID155807222
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2[nH]c3ccccc3c2/C=N/NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H19N5O2/c1-15(29)26-18-8-4-6-16(12-18)22-20(19-9-2-3-10-21(19)27-22)14-25-28-23(30)17-7-5-11-24-13-17/h2-14,27H,1H3,(H,26,29)(H,28,30)/b25-14+
InChIKeyCTVYYPQEAFCAMG-AFUMVMLFSA-N
XLogP3.95
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
3-nitro-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135590888
N-[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 135547640
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
CID 135403106
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
CID 136919029
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
CID 135556740
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide (CID 155807222) is N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide is CC(=O)Nc1cccc(-c2[nH]c3ccccc3c2/C=N/NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is CTVYYPQEAFCAMG-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15(29)26-18-8-4-6-16(12-18)22-20(19-9-2-3-10-21(19)27-22)14-25-28-23(30)17-7-5-11-24-13-17/h2-14,27H,1H3,(H,26,29)(H,28,30)/b25-14+.
What are the key properties of N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 155807222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).