N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide

C16H14N4O3 — CID 9211562

IUPACN-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H14N4O3/c1-10(19-20-16(22)12-3-2-6-17-8-12)11-4-5-14-13(7-11)18-15(21)9-23-14/h2-8H,9H2,1H3,(H,18,21)(H,20,22)/b19-10-
InChIKeyVYKRODNRRSOYOI-GRSHGNNSSA-N
MW310.31 g/mol
LogP1.57
Rot. Bonds3

About N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 9211562) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
PubChem CID9211562
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H14N4O3/c1-10(19-20-16(22)12-3-2-6-17-8-12)11-4-5-14-13(7-11)18-15(21)9-23-14/h2-8H,9H2,1H3,(H,18,21)(H,20,22)/b19-10-
InChIKeyVYKRODNRRSOYOI-GRSHGNNSSA-N
XLogP1.57
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.57
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-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
methyl N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamate
CID 9211787
2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
CID 9233411
2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035563
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
5-(4-fluorophenyl)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiophene-2-carboxamide
CID 9298327
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035669
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881942
6-[(Z)-N-(2-chloroanilino)-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 9211664
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide (CID 9211562) is N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is VYKRODNRRSOYOI-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10(19-20-16(22)12-3-2-6-17-8-12)11-4-5-14-13(7-11)18-15(21)9-23-14/h2-8H,9H2,1H3,(H,18,21)(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 9211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).