2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide

C22H17N5O — CID 8007643

IUPAC2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccncc1
InChIInChI=1S/C22H17N5O/c1-15(16-9-12-23-13-10-16)26-27-22(28)18-14-21(20-8-4-5-11-24-20)25-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,27,28)/b26-15-
InChIKeyCNDMBLOXMYTRNW-YSMPRRRNSA-N
MW367.41 g/mol
LogP3.85
Rot. Bonds4

About 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide

2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 8007643) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
PubChem CID8007643
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccncc1
InChIInChI=1S/C22H17N5O/c1-15(16-9-12-23-13-10-16)26-27-22(28)18-14-21(20-8-4-5-11-24-20)25-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,27,28)/b26-15-
InChIKeyCNDMBLOXMYTRNW-YSMPRRRNSA-N
XLogP3.85
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
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-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide (CID 8007643) is 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccncc1.
What is the InChIKey of 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is CNDMBLOXMYTRNW-YSMPRRRNSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15(16-9-12-23-13-10-16)26-27-22(28)18-14-21(20-8-4-5-11-24-20)25-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,27,28)/b26-15-.
What are the key properties of 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide?
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 8007643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).