N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide

C16H16N4O3 — CID 842406

IUPACN-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H16N4O3/c1-11(19-20-16(22)12-5-4-8-18-9-12)13-6-2-3-7-14(13)23-10-15(17)21/h2-9H,10H2,1H3,(H2,17,21)(H,20,22)
InChIKeyZPOHMVQJPRUVNX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.10
Rot. Bonds6

About N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide

N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 842406) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
PubChem CID842406
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H16N4O3/c1-11(19-20-16(22)12-5-4-8-18-9-12)13-6-2-3-7-14(13)23-10-15(17)21/h2-9H,10H2,1H3,(H2,17,21)(H,20,22)
InChIKeyZPOHMVQJPRUVNX-UHFFFAOYSA-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-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5455528
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 5403853
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide (CID 842406) is N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1ccccc1OCC(N)=O.
What is the InChIKey of N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is ZPOHMVQJPRUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11(19-20-16(22)12-5-4-8-18-9-12)13-6-2-3-7-14(13)23-10-15(17)21/h2-9H,10H2,1H3,(H2,17,21)(H,20,22).
What are the key properties of N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-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-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 842406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).