N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

C21H19N3O2 — CID 109180597

IUPACN-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C21H19N3O2/c1-2-14-22-16-12-13-19(23-15-16)21(25)24-18-10-6-7-11-20(18)26-17-8-4-3-5-9-17/h2-13,15,22H,1,14H2,(H,24,25)
InChIKeyXRQOIMXIPYRXFU-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.72
Rot. Bonds7

About N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180597) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180597
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C21H19N3O2/c1-2-14-22-16-12-13-19(23-15-16)21(25)24-18-10-6-7-11-20(18)26-17-8-4-3-5-9-17/h2-13,15,22H,1,14H2,(H,24,25)
InChIKeyXRQOIMXIPYRXFU-UHFFFAOYSA-N
XLogP4.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109200821
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
6-methyl-N-(2-phenoxyphenyl)pyridazine-3-carboxamide
CID 110705367
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
6-cyclopropyl-N-(2-phenoxyphenyl)pyridazine-3-carboxamide
CID 113200298
4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109208035

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180597) is N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)nc1.
What is the InChIKey of N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is XRQOIMXIPYRXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-14-22-16-12-13-19(23-15-16)21(25)24-18-10-6-7-11-20(18)26-17-8-4-3-5-9-17/h2-13,15,22H,1,14H2,(H,24,25).
What are the key properties of N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).