N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide

C14H15N3O2 — CID 61239289

IUPACN-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
SMILESCOc1cc(NC(=O)Cc2ccccn2)ccc1N
InChIInChI=1S/C14H15N3O2/c1-19-13-8-11(5-6-12(13)15)17-14(18)9-10-4-2-3-7-16-10/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyXFQDAPWVSPSOJV-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.85
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide

N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide (PubChem CID 61239289) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
PubChem CID61239289
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
SMILESCOc1cc(NC(=O)Cc2ccccn2)ccc1N
InChIInChI=1S/C14H15N3O2/c1-19-13-8-11(5-6-12(13)15)17-14(18)9-10-4-2-3-7-16-10/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyXFQDAPWVSPSOJV-UHFFFAOYSA-N
XLogP1.85
TPSA77.24 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide (CID 61239289) is N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide is COc1cc(NC(=O)Cc2ccccn2)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide?
The InChIKey is XFQDAPWVSPSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-8-11(5-6-12(13)15)17-14(18)9-10-4-2-3-7-16-10/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide?
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide has a molecular weight of 257.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 61239289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).