N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C20H17N5O3 — CID 122191414

IUPACN-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccnc1
InChIInChI=1S/C20H17N5O3/c26-19(24-17-2-1-9-22-13-17)14-28-18-5-3-15(4-6-18)12-23-25-20(27)16-7-10-21-11-8-16/h1-13H,14H2,(H,24,26)(H,25,27)/b23-12+
InChIKeyCXECVOBCNVJKBX-FSJBWODESA-N
MW375.39 g/mol
LogP2.26
Rot. Bonds7

About N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 122191414) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID122191414
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccnc1
InChIInChI=1S/C20H17N5O3/c26-19(24-17-2-1-9-22-13-17)14-28-18-5-3-15(4-6-18)12-23-25-20(27)16-7-10-21-11-8-16/h1-13H,14H2,(H,24,26)(H,25,27)/b23-12+
InChIKeyCXECVOBCNVJKBX-FSJBWODESA-N
XLogP2.26
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191415
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
4-chloro-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 96886328
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 122191414) is N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccnc1.
What is the InChIKey of N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is CXECVOBCNVJKBX-FSJBWODESA-N. The full InChI is InChI=1S/C20H17N5O3/c26-19(24-17-2-1-9-22-13-17)14-28-18-5-3-15(4-6-18)12-23-25-20(27)16-7-10-21-11-8-16/h1-13H,14H2,(H,24,26)(H,25,27)/b23-12+.
What are the key properties of N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 122191414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).