6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide

C23H25N3O2 — CID 68748065

IUPAC6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCCNCCc3ccccc3)cc2)nc1
InChIInChI=1S/C23H25N3O2/c24-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)7-4-15-25-16-14-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H2,24,27)
InChIKeyKVWCPEBPZKDVOZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.74
Rot. Bonds10

About 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide

6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68748065) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
PubChem CID68748065
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCCNCCc3ccccc3)cc2)nc1
InChIInChI=1S/C23H25N3O2/c24-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)7-4-15-25-16-14-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H2,24,27)
InChIKeyKVWCPEBPZKDVOZ-UHFFFAOYSA-N
XLogP3.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673399
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
CID 158977644
CID 158977644
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730004
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412
6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
CID 59729915

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide (CID 68748065) is 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CCCNCCc3ccccc3)cc2)nc1.
What is the InChIKey of 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is KVWCPEBPZKDVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c24-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)7-4-15-25-16-14-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H2,24,27).
What are the key properties of 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide?
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68748065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).