2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide

C14H15N3O2 — CID 3049974

IUPAC2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H15N3O2/c1-15-14(18)12-4-3-9-16-13(12)17-10-5-7-11(19-2)8-6-10/h3-9H,1-2H3,(H,15,18)(H,16,17)
InChIKeyYVKLLYDPDWCODC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide

2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 3049974) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID3049974
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1Nc1ccc(OC)cc1
InChIInChI=1S/C14H15N3O2/c1-15-14(18)12-4-3-9-16-13(12)17-10-5-7-11(19-2)8-6-10/h3-9H,1-2H3,(H,15,18)(H,16,17)
InChIKeyYVKLLYDPDWCODC-UHFFFAOYSA-N
XLogP2.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 3049974) is 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1Nc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is YVKLLYDPDWCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-14(18)12-4-3-9-16-13(12)17-10-5-7-11(19-2)8-6-10/h3-9H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide?
2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 3049974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).