6-butoxypyridine-3-carboxamide

C10H14N2O2 — CID 506622

IUPAC6-butoxypyridine-3-carboxamide
SMILESCCCCOc1ccc(C(N)=O)cn1
InChIInChI=1S/C10H14N2O2/c1-2-3-6-14-9-5-4-8(7-12-9)10(11)13/h4-5,7H,2-3,6H2,1H3,(H2,11,13)
InChIKeyZGFRJZYJWTVHRR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.36
Rot. Bonds5

About 6-butoxypyridine-3-carboxamide

6-butoxypyridine-3-carboxamide (PubChem CID 506622) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-butoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxypyridine-3-carboxamide
PubChem CID506622
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-butoxypyridine-3-carboxamide
SMILESCCCCOc1ccc(C(N)=O)cn1
InChIInChI=1S/C10H14N2O2/c1-2-3-6-14-9-5-4-8(7-12-9)10(11)13/h4-5,7H,2-3,6H2,1H3,(H2,11,13)
InChIKeyZGFRJZYJWTVHRR-UHFFFAOYSA-N
XLogP1.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 166748970
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-(2-butoxyethoxy)pyridine-3-carbothioamide
CID 29001986
2-[(5-carbamoyl-2-pyridinyl)oxy]acetic acid
CID 114335315
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
(4-methylphenyl) 6-decoxypyridine-3-carboxylate
CID 20667991
4-butoxy-3-methoxybenzamide
CID 47102628
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
3-amino-4-butoxybenzamide
CID 43448596
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609

Frequently Asked Questions

What is the IUPAC name of 6-butoxypyridine-3-carboxamide?
The IUPAC name of 6-butoxypyridine-3-carboxamide (CID 506622) is 6-butoxypyridine-3-carboxamide.
What is the SMILES notation for 6-butoxypyridine-3-carboxamide?
The canonical SMILES for 6-butoxypyridine-3-carboxamide is CCCCOc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-butoxypyridine-3-carboxamide?
The InChIKey is ZGFRJZYJWTVHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-6-14-9-5-4-8(7-12-9)10(11)13/h4-5,7H,2-3,6H2,1H3,(H2,11,13).
What are the key properties of 6-butoxypyridine-3-carboxamide?
6-butoxypyridine-3-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxypyridine-3-carboxamide is sourced from PubChem (CID 506622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).