3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide

C13H14FN5O2 — CID 105387666

IUPAC3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccc(=O)[nH]n2)c1F
InChIInChI=1S/C13H14FN5O2/c1-2-6-15-12-11(14)8(5-7-16-12)13(21)17-9-3-4-10(20)19-18-9/h3-5,7H,2,6H2,1H3,(H,15,16)(H,19,20)(H,17,18,21)
InChIKeyVMHSDZQVHHIJAG-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.38
Rot. Bonds5

About 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105387666) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID105387666
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccc(=O)[nH]n2)c1F
InChIInChI=1S/C13H14FN5O2/c1-2-6-15-12-11(14)8(5-7-16-12)13(21)17-9-3-4-10(20)19-18-9/h3-5,7H,2,6H2,1H3,(H,15,16)(H,19,20)(H,17,18,21)
InChIKeyVMHSDZQVHHIJAG-UHFFFAOYSA-N
XLogP1.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105384409
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386819
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-[(2-methylpyrazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105386261
6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 116787996
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386738
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385716

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide (CID 105387666) is 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)Nc2ccc(=O)[nH]n2)c1F.
What is the InChIKey of 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is VMHSDZQVHHIJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c1-2-6-15-12-11(14)8(5-7-16-12)13(21)17-9-3-4-10(20)19-18-9/h3-5,7H,2,6H2,1H3,(H,15,16)(H,19,20)(H,17,18,21).
What are the key properties of 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).