N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide

C16H15N3O2 — CID 6880157

IUPACN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1ccccn1
InChIInChI=1S/C16H15N3O2/c1-21-15-10-3-2-7-13(15)8-6-12-18-19-16(20)14-9-4-5-11-17-14/h2-12H,1H3,(H,19,20)/b8-6+,18-12+
InChIKeyBJWSTHRRVYHEGR-HIOLSYOPSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds5

About N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide (PubChem CID 6880157) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
PubChem CID6880157
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1ccccn1
InChIInChI=1S/C16H15N3O2/c1-21-15-10-3-2-7-13(15)8-6-12-18-19-16(20)14-9-4-5-11-17-14/h2-12H,1H3,(H,19,20)/b8-6+,18-12+
InChIKeyBJWSTHRRVYHEGR-HIOLSYOPSA-N
XLogP2.52
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide (CID 6880157) is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide is COc1ccccc1/C=C/C=N/NC(=O)c1ccccn1.
What is the InChIKey of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The InChIKey is BJWSTHRRVYHEGR-HIOLSYOPSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-10-3-2-7-13(15)8-6-12-18-19-16(20)14-9-4-5-11-17-14/h2-12H,1H3,(H,19,20)/b8-6+,18-12+.
What are the key properties of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 6880157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).