N-butan-2-yl-5-fluoropyridine-3-carboxamide

C10H13FN2O — CID 115694418

IUPACN-butan-2-yl-5-fluoropyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(F)c1
InChIInChI=1S/C10H13FN2O/c1-3-7(2)13-10(14)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyDMISJFQZMJOWJC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.75
Rot. Bonds3

About N-butan-2-yl-5-fluoropyridine-3-carboxamide

N-butan-2-yl-5-fluoropyridine-3-carboxamide (PubChem CID 115694418) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is N-butan-2-yl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-fluoropyridine-3-carboxamide
PubChem CID115694418
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC NameN-butan-2-yl-5-fluoropyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(F)c1
InChIInChI=1S/C10H13FN2O/c1-3-7(2)13-10(14)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyDMISJFQZMJOWJC-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
(E)-3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 109375737
3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974847
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-fluoropyridine-3-carboxamide (CID 115694418) is N-butan-2-yl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-fluoropyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(F)c1.
What is the InChIKey of N-butan-2-yl-5-fluoropyridine-3-carboxamide?
The InChIKey is DMISJFQZMJOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-7(2)13-10(14)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of N-butan-2-yl-5-fluoropyridine-3-carboxamide?
N-butan-2-yl-5-fluoropyridine-3-carboxamide has a molecular weight of 196.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115694418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).