6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide

C19H25N3O2 — CID 68749693

IUPAC6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
SMILESCCCCCNC(C)c1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C19H25N3O2/c1-3-4-5-12-21-14(2)15-6-9-17(10-7-15)24-18-11-8-16(13-22-18)19(20)23/h6-11,13-14,21H,3-5,12H2,1-2H3,(H2,20,23)
InChIKeyXTDMCQFAAXNVAL-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.81
Rot. Bonds9

About 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68749693) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68749693
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
SMILESCCCCCNC(C)c1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C19H25N3O2/c1-3-4-5-12-21-14(2)15-6-9-17(10-7-15)24-18-11-8-16(13-22-18)19(20)23/h6-11,13-14,21H,3-5,12H2,1-2H3,(H2,20,23)
InChIKeyXTDMCQFAAXNVAL-UHFFFAOYSA-N
XLogP3.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.81
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-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide
CID 174444828
6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
CID 68748468
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-butoxypyridine-3-carboxamide
CID 506622
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide (CID 68749693) is 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide is CCCCCNC(C)c1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is XTDMCQFAAXNVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-4-5-12-21-14(2)15-6-9-17(10-7-15)24-18-11-8-16(13-22-18)19(20)23/h6-11,13-14,21H,3-5,12H2,1-2H3,(H2,20,23).
What are the key properties of 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68749693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).