2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide

C14H15N3O2 — CID 106486567

IUPAC2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
SMILESCNCc1cccc(Oc2cc(C(N)=O)ccn2)c1
InChIInChI=1S/C14H15N3O2/c1-16-9-10-3-2-4-12(7-10)19-13-8-11(14(15)18)5-6-17-13/h2-8,16H,9H2,1H3,(H2,15,18)
InChIKeyZJLNGVVWQORBDJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide

2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide (PubChem CID 106486567) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
PubChem CID106486567
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
SMILESCNCc1cccc(Oc2cc(C(N)=O)ccn2)c1
InChIInChI=1S/C14H15N3O2/c1-16-9-10-3-2-4-12(7-10)19-13-8-11(14(15)18)5-6-17-13/h2-8,16H,9H2,1H3,(H2,15,18)
InChIKeyZJLNGVVWQORBDJ-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-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486329
2-[4-(methylamino)phenoxy]pyridine-4-carboxamide
CID 61028473
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623
2-(4-aminophenoxy)pyridine-4-carboxamide
CID 54909039
N-methyl-1-(2-naphthalen-2-yloxy-4-pyridinyl)methanamine
CID 62322369
1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide
CID 106486383
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
CID 168522708
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 62288969
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide (CID 106486567) is 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide is CNCc1cccc(Oc2cc(C(N)=O)ccn2)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide?
The InChIKey is ZJLNGVVWQORBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-9-10-3-2-4-12(7-10)19-13-8-11(14(15)18)5-6-17-13/h2-8,16H,9H2,1H3,(H2,15,18).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide?
2-[3-(methylaminomethyl)phenoxy]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 106486567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).