6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide

C14H22FN3O — CID 63979376

IUPAC6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C14H22FN3O/c1-11(2)18(3)9-5-4-8-16-14(19)12-6-7-13(15)17-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyADQIFHOAFWTQDZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.07
Rot. Bonds7

About 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide

6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide (PubChem CID 63979376) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
PubChem CID63979376
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C14H22FN3O/c1-11(2)18(3)9-5-4-8-16-14(19)12-6-7-13(15)17-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyADQIFHOAFWTQDZ-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
CID 107027548
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
3-bromo-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 79465134
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide (CID 63979376) is 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide is CC(C)N(C)CCCCNC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide?
The InChIKey is ADQIFHOAFWTQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11(2)18(3)9-5-4-8-16-14(19)12-6-7-13(15)17-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide?
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 63979376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).