5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide

C17H19N3O2 — CID 109180259

IUPAC5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2ccccc2OC)cn1
InChIInChI=1S/C17H19N3O2/c1-3-10-18-17(21)15-9-8-14(12-20-15)19-11-13-6-4-5-7-16(13)22-2/h3-9,12,19H,1,10-11H2,2H3,(H,18,21)
InChIKeyLOANLQJCRXVRHI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.62
Rot. Bonds7

About 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide

5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180259) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180259
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2ccccc2OC)cn1
InChIInChI=1S/C17H19N3O2/c1-3-10-18-17(21)15-9-8-14(12-20-15)19-11-13-6-4-5-7-16(13)22-2/h3-9,12,19H,1,10-11H2,2H3,(H,18,21)
InChIKeyLOANLQJCRXVRHI-UHFFFAOYSA-N
XLogP2.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.62
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

5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-(2-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190308
5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180272
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190329
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide (CID 109180259) is 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(NCc2ccccc2OC)cn1.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is LOANLQJCRXVRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-10-18-17(21)15-9-8-14(12-20-15)19-11-13-6-4-5-7-16(13)22-2/h3-9,12,19H,1,10-11H2,2H3,(H,18,21).
What are the key properties of 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide?
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).