3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide

C15H17FN4O — CID 105386819

IUPAC3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccnc(C)c2)c1F
InChIInChI=1S/C15H17FN4O/c1-3-6-18-14-13(16)12(5-8-19-14)15(21)20-11-4-7-17-10(2)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyOQCHEHIZMMOQQF-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.00
Rot. Bonds5

About 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105386819) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID105386819
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccnc(C)c2)c1F
InChIInChI=1S/C15H17FN4O/c1-3-6-18-14-13(16)12(5-8-19-14)15(21)20-11-4-7-17-10(2)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyOQCHEHIZMMOQQF-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105384409
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
N-(2-methyl-4-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245840
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
2-methyl-N-propylpyridin-4-amine
CID 79240818
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
3-fluoro-N-(1-methylcyclopentyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386620
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide (CID 105386819) is 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)Nc2ccnc(C)c2)c1F.
What is the InChIKey of 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is OQCHEHIZMMOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-6-18-14-13(16)12(5-8-19-14)15(21)20-11-4-7-17-10(2)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,18,19)(H,17,20,21).
What are the key properties of 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).