6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

C20H22N4O3 — CID 59730004

IUPAC6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1noc(C)c1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H22N4O3/c1-13-18(14(2)27-24-13)12-22-10-9-15-3-6-17(7-4-15)26-19-8-5-16(11-23-19)20(21)25/h3-8,11,22H,9-10,12H2,1-2H3,(H2,21,25)
InChIKeyPFDNKAPNCMTSLD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.91
Rot. Bonds8

About 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59730004) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID59730004
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1noc(C)c1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H22N4O3/c1-13-18(14(2)27-24-13)12-22-10-9-15-3-6-17(7-4-15)26-19-8-5-16(11-23-19)20(21)25/h3-8,11,22H,9-10,12H2,1-2H3,(H2,21,25)
InChIKeyPFDNKAPNCMTSLD-UHFFFAOYSA-N
XLogP2.91
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (CID 59730004) is 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is Cc1noc(C)c1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is PFDNKAPNCMTSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-18(14(2)27-24-13)12-22-10-9-15-3-6-17(7-4-15)26-19-8-5-16(11-23-19)20(21)25/h3-8,11,22H,9-10,12H2,1-2H3,(H2,21,25).
What are the key properties of 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).