N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide

C16H16N4O3 — CID 6302652

IUPACN-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H16N4O3/c1-11(19-20-16(22)12-6-8-18-9-7-12)13-4-2-3-5-14(13)23-10-15(17)21/h2-9H,10H2,1H3,(H2,17,21)(H,20,22)/b19-11-
InChIKeyQOYCVVOWPZMSIC-ODLFYWEKSA-N
MW312.33 g/mol
LogP1.10
Rot. Bonds6

About N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 6302652) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
PubChem CID6302652
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H16N4O3/c1-11(19-20-16(22)12-6-8-18-9-7-12)13-4-2-3-5-14(13)23-10-15(17)21/h2-9H,10H2,1H3,(H2,17,21)(H,20,22)/b19-11-
InChIKeyQOYCVVOWPZMSIC-ODLFYWEKSA-N
XLogP1.10
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.10
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

N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 842406
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5455528
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
2-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]benzoate
CID 7434547
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
CID 26974464
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429
N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 135491423
[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
CID 6250549
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide (CID 6302652) is N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1ccccc1OCC(N)=O.
What is the InChIKey of N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is QOYCVVOWPZMSIC-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11(19-20-16(22)12-6-8-18-9-7-12)13-4-2-3-5-14(13)23-10-15(17)21/h2-9H,10H2,1H3,(H2,17,21)(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6302652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).