N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide

C23H19N5O — CID 24776657

IUPACN-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N/N=C/c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H19N5O/c29-23(25-15-17-7-2-1-3-8-17)20-13-22(27-21-11-5-4-10-19(20)21)28-26-16-18-9-6-12-24-14-18/h1-14,16H,15H2,(H,25,29)(H,27,28)/b26-16+
InChIKeyDIUDLLRCABWZER-WGOQTCKBSA-N
MW381.44 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide

N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide (PubChem CID 24776657) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
PubChem CID24776657
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N/N=C/c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H19N5O/c29-23(25-15-17-7-2-1-3-8-17)20-13-22(27-21-11-5-4-10-19(20)21)28-26-16-18-9-6-12-24-14-18/h1-14,16H,15H2,(H,25,29)(H,27,28)/b26-16+
InChIKeyDIUDLLRCABWZER-WGOQTCKBSA-N
XLogP4.01
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
CID 24777127
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776658
2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
CID 24776773
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226438
2-(2-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5455023
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
CID 110839910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide (CID 24776657) is N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(N/N=C/c2cccnc2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
The InChIKey is DIUDLLRCABWZER-WGOQTCKBSA-N. The full InChI is InChI=1S/C23H19N5O/c29-23(25-15-17-7-2-1-3-8-17)20-13-22(27-21-11-5-4-10-19(20)21)28-26-16-18-9-6-12-24-14-18/h1-14,16H,15H2,(H,25,29)(H,27,28)/b26-16+.
What are the key properties of N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide?
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide is sourced from PubChem (CID 24776657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).