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

C21H19FN4O2 — CID 70979507

IUPAC5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(\c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1
InChIInChI=1S/C21H19FN4O2/c1-4-16(15-6-8-20(28-3)25-10-15)14-5-7-19(24-9-14)26-21(27)17-11-23-12-18(22)13(17)2/h4-12H,1-3H3,(H,24,26,27)/b16-4+
InChIKeyWEHAJZIBFCCJMI-AYSLTRBKSA-N
MW378.41 g/mol
LogP4.03
Rot. Bonds5

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

5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 70979507) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70979507
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(\c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1
InChIInChI=1S/C21H19FN4O2/c1-4-16(15-6-8-20(28-3)25-10-15)14-5-7-19(24-9-14)26-21(27)17-11-23-12-18(22)13(17)2/h4-12H,1-3H3,(H,24,26,27)/b16-4+
InChIKeyWEHAJZIBFCCJMI-AYSLTRBKSA-N
XLogP4.03
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.03
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-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70979507) is 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is C/C=C(\c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1.
What is the InChIKey of 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is WEHAJZIBFCCJMI-AYSLTRBKSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-4-16(15-6-8-20(28-3)25-10-15)14-5-7-19(24-9-14)26-21(27)17-11-23-12-18(22)13(17)2/h4-12H,1-3H3,(H,24,26,27)/b16-4+.
What are the key properties of 5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.03, 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-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70979507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).