2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide

C12H18FN3O — CID 105385823

IUPAC2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H18FN3O/c1-8(2)5-7-16(3)12(17)9-4-6-15-11(14)10(9)13/h4,6,8H,5,7H2,1-3H3,(H2,14,15)
InChIKeyPJWSPUCOQMIWMT-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 105385823) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID105385823
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H18FN3O/c1-8(2)5-7-16(3)12(17)9-4-6-15-11(14)10(9)13/h4,6,8H,5,7H2,1-3H3,(H2,14,15)
InChIKeyPJWSPUCOQMIWMT-UHFFFAOYSA-N
XLogP1.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-fluoro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105384771
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105388166
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105384763
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 105386146
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide (CID 105385823) is 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide is CC(C)CCN(C)C(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is PJWSPUCOQMIWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(2)5-7-16(3)12(17)9-4-6-15-11(14)10(9)13/h4,6,8H,5,7H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105385823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).