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

C15H17N3O2 — CID 174444828

IUPAC6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide
SMILESCCC(N)c1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-13(16)10-3-6-12(7-4-10)20-14-8-5-11(9-18-14)15(17)19/h3-9,13H,2,16H2,1H3,(H2,17,19)
InChIKeyIKHAEBIBMNQJHZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds5

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

6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide (PubChem CID 174444828) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide
PubChem CID174444828
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide
SMILESCCC(N)c1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-13(16)10-3-6-12(7-4-10)20-14-8-5-11(9-18-14)15(17)19/h3-9,13H,2,16H2,1H3,(H2,17,19)
InChIKeyIKHAEBIBMNQJHZ-UHFFFAOYSA-N
XLogP2.38
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(1-amino-2,2-dimethyl-3-phenylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444882
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-butoxypyridine-3-carboxamide
CID 506622
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide (CID 174444828) is 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide is CCC(N)c1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is IKHAEBIBMNQJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-13(16)10-3-6-12(7-4-10)20-14-8-5-11(9-18-14)15(17)19/h3-9,13H,2,16H2,1H3,(H2,17,19).
What are the key properties of 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide?
6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 174444828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).