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

C22H21FN4O2 — CID 123273748

IUPAC5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCC=C(c1ccc(COC)nc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H21FN4O2/c1-4-18(15-5-7-17(13-29-3)25-9-15)16-6-8-21(26-10-16)27-22(28)19-11-24-12-20(23)14(19)2/h4-12H,13H2,1-3H3,(H,26,27,28)
InChIKeyJDCNXRUXUZBRJA-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.17
Rot. Bonds6

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

5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 123273748) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID123273748
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCC=C(c1ccc(COC)nc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H21FN4O2/c1-4-18(15-5-7-17(13-29-3)25-9-15)16-6-8-21(26-10-16)27-22(28)19-11-24-12-20(23)14(19)2/h4-12H,13H2,1-3H3,(H,26,27,28)
InChIKeyJDCNXRUXUZBRJA-UHFFFAOYSA-N
XLogP4.17
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.17
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-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 123273748) is 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is CC=C(c1ccc(COC)nc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is JDCNXRUXUZBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-4-18(15-5-7-17(13-29-3)25-9-15)16-6-8-21(26-10-16)27-22(28)19-11-24-12-20(23)14(19)2/h4-12H,13H2,1-3H3,(H,26,27,28).
What are the key properties of 5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.17, 6 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-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 123273748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).