N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide

C12H15FN2O — CID 115769013

IUPACN-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)C1CCC1
InChIInChI=1S/C12H15FN2O/c1-8(9-3-2-4-9)15-12(16)10-5-6-14-7-11(10)13/h5-9H,2-4H2,1H3,(H,15,16)
InChIKeyMSIOPUMADDQGRX-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.14
Rot. Bonds3

About N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide

N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115769013) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
PubChem CID115769013
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)C1CCC1
InChIInChI=1S/C12H15FN2O/c1-8(9-3-2-4-9)15-12(16)10-5-6-14-7-11(10)13/h5-9H,2-4H2,1H3,(H,15,16)
InChIKeyMSIOPUMADDQGRX-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide
CID 138058275
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide (CID 115769013) is N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccncc1F)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is MSIOPUMADDQGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(9-3-2-4-9)15-12(16)10-5-6-14-7-11(10)13/h5-9H,2-4H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide?
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115769013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).