5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide

C15H17N3O2 — CID 68748683

IUPAC5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide
SMILESCNCCc1ccc(Oc2cncc(C(N)=O)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-17-7-6-11-2-4-13(5-3-11)20-14-8-12(15(16)19)9-18-10-14/h2-5,8-10,17H,6-7H2,1H3,(H2,16,19)
InChIKeyMNWJAWUQYNFLEY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds6

About 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide

5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68748683) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68748683
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide
SMILESCNCCc1ccc(Oc2cncc(C(N)=O)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-17-7-6-11-2-4-13(5-3-11)20-14-8-12(15(16)19)9-18-10-14/h2-5,8-10,17H,6-7H2,1H3,(H2,16,19)
InChIKeyMNWJAWUQYNFLEY-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one
CID 144880810
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate
CID 19758669
5-(4-butylphenoxy)-N-methylpyridin-3-amine
CID 104536970
5-(6-ethyl-2-methylpyrimidin-4-yl)oxypyridine-3-carboxamide
CID 133462445
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide
CID 166625419
4-(4-carbamoylphenoxy)benzamide
CID 156597124
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
CID 123773067
4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide
CID 127049868

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide (CID 68748683) is 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide is CNCCc1ccc(Oc2cncc(C(N)=O)c2)cc1.
What is the InChIKey of 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is MNWJAWUQYNFLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-7-6-11-2-4-13(5-3-11)20-14-8-12(15(16)19)9-18-10-14/h2-5,8-10,17H,6-7H2,1H3,(H2,16,19).
What are the key properties of 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide?
5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68748683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).