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

C21H15N5O — CID 5430588

IUPAC2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccccn1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H15N5O/c27-21(26-24-14-16-5-3-4-10-23-16)18-13-20(15-8-11-22-12-9-15)25-19-7-2-1-6-17(18)19/h1-14H,(H,26,27)/b24-14-
InChIKeyQWMFOPZHDXETGS-OYKKKHCWSA-N
MW353.39 g/mol
LogP3.46
Rot. Bonds4

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

2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 5430588) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID5430588
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccccn1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H15N5O/c27-21(26-24-14-16-5-3-4-10-23-16)18-13-20(15-8-11-22-12-9-15)25-19-7-2-1-6-17(18)19/h1-14H,(H,26,27)/b24-14-
InChIKeyQWMFOPZHDXETGS-OYKKKHCWSA-N
XLogP3.46
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.46
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-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
2-pyridin-1-ium-4-yl-N-(pyridin-4-ylmethylideneamino)quinoline-4-carboxamide
CID 135505088
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
2-(2,4-dimethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6875005
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 3485372
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55353125
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (CID 5430588) is 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C\c1ccccn1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is QWMFOPZHDXETGS-OYKKKHCWSA-N. The full InChI is InChI=1S/C21H15N5O/c27-21(26-24-14-16-5-3-4-10-23-16)18-13-20(15-8-11-22-12-9-15)25-19-7-2-1-6-17(18)19/h1-14H,(H,26,27)/b24-14-.
What are the key properties of 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5430588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).