5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C22H21FN4O2 — CID 70978500

IUPAC5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=C(C)C)c2ccc(NC(=O)c3cncc(F)c3C)nc2)cn1
InChIInChI=1S/C22H21FN4O2/c1-13(2)21(16-6-8-20(29-4)26-10-16)15-5-7-19(25-9-15)27-22(28)17-11-24-12-18(23)14(17)3/h5-12H,1-4H3,(H,25,27,28)
InChIKeyXVENRNKCVOMDJB-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.42
Rot. Bonds5

About 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 70978500) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70978500
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=C(C)C)c2ccc(NC(=O)c3cncc(F)c3C)nc2)cn1
InChIInChI=1S/C22H21FN4O2/c1-13(2)21(16-6-8-20(29-4)26-10-16)15-5-7-19(25-9-15)27-22(28)17-11-24-12-18(23)14(17)3/h5-12H,1-4H3,(H,25,27,28)
InChIKeyXVENRNKCVOMDJB-UHFFFAOYSA-N
XLogP4.42
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70978500) is 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is COc1ccc(C(=C(C)C)c2ccc(NC(=O)c3cncc(F)c3C)nc2)cn1.
What is the InChIKey of 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is XVENRNKCVOMDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-13(2)21(16-6-8-20(29-4)26-10-16)15-5-7-19(25-9-15)27-22(28)17-11-24-12-18(23)14(17)3/h5-12H,1-4H3,(H,25,27,28).
What are the key properties of 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).