N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide

C15H13N3O3 — CID 6261518

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O3/c1-10(11-4-5-13-14(7-11)21-9-20-13)17-18-15(19)12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,18,19)/b17-10-
InChIKeyJIVXDJSAZRGGEZ-YVLHZVERSA-N
MW283.29 g/mol
LogP1.96
Rot. Bonds3

About N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 6261518) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
PubChem CID6261518
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O3/c1-10(11-4-5-13-14(7-11)21-9-20-13)17-18-15(19)12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,18,19)/b17-10-
InChIKeyJIVXDJSAZRGGEZ-YVLHZVERSA-N
XLogP1.96
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.96
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

N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 6941497
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
N-[(Z)-1-pyridin-4-ylethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5408947
N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide
CID 726780
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
CID 9211562
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propan-2-ylbenzamide
CID 3616395
N-[4-[N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 3442200
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide (CID 6261518) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is JIVXDJSAZRGGEZ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10(11-4-5-13-14(7-11)21-9-20-13)17-18-15(19)12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6261518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).