4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide

C14H21N3O3 — CID 133454965

IUPAC4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCCOC1CCOCC1
InChIInChI=1S/C14H21N3O3/c15-14(18)12-10-16-6-2-13(12)17-5-1-7-20-11-3-8-19-9-4-11/h2,6,10-11H,1,3-5,7-9H2,(H2,15,18)(H,16,17)
InChIKeyVBLLWPWDDWJUHY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.18
Rot. Bonds7

About 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide

4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide (PubChem CID 133454965) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
PubChem CID133454965
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCCOC1CCOCC1
InChIInChI=1S/C14H21N3O3/c15-14(18)12-10-16-6-2-13(12)17-5-1-7-20-11-3-8-19-9-4-11/h2,6,10-11H,1,3-5,7-9H2,(H2,15,18)(H,16,17)
InChIKeyVBLLWPWDDWJUHY-UHFFFAOYSA-N
XLogP1.18
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
CID 133469039
2-[3-(oxan-4-yloxy)propylamino]pyrimidine-4-carboxylic acid
CID 166331121
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 133443201
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
5-nitro-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71996258
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133402360
3-(oxan-4-ylmethylamino)pyridine-4-carbothioamide
CID 113269693
4-[3-(3-oxo-1,4-benzoxazin-4-yl)propylamino]pyridine-3-carboxamide
CID 133454985
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide (CID 133454965) is 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCCCOC1CCOCC1.
What is the InChIKey of 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide?
The InChIKey is VBLLWPWDDWJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-14(18)12-10-16-6-2-13(12)17-5-1-7-20-11-3-8-19-9-4-11/h2,6,10-11H,1,3-5,7-9H2,(H2,15,18)(H,16,17).
What are the key properties of 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide?
4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133454965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).