2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide

C14H15N3O2 — CID 106486329

IUPAC2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
SMILESCNCc1cccc(Oc2ncccc2C(N)=O)c1
InChIInChI=1S/C14H15N3O2/c1-16-9-10-4-2-5-11(8-10)19-14-12(13(15)18)6-3-7-17-14/h2-8,16H,9H2,1H3,(H2,15,18)
InChIKeyRJJVKEHMXITMGG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide

2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 106486329) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
PubChem CID106486329
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
SMILESCNCc1cccc(Oc2ncccc2C(N)=O)c1
InChIInChI=1S/C14H15N3O2/c1-16-9-10-4-2-5-11(8-10)19-14-12(13(15)18)6-3-7-17-14/h2-8,16H,9H2,1H3,(H2,15,18)
InChIKeyRJJVKEHMXITMGG-UHFFFAOYSA-N
XLogP1.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286
2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
CID 106486567
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
CID 54271872
methyl (Z)-2-[2-[3-(chloromethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
CID 67897789
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
2-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carboxamide
CID 107709590
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
CID 65471386
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide (CID 106486329) is 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide is CNCc1cccc(Oc2ncccc2C(N)=O)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is RJJVKEHMXITMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-9-10-4-2-5-11(8-10)19-14-12(13(15)18)6-3-7-17-14/h2-8,16H,9H2,1H3,(H2,15,18).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide?
2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 106486329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).