N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H19FN4O2 — CID 71010035

IUPACN-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1ccc(OC2CC2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C21H19FN4O2/c1-12-3-4-15(28-14-5-6-14)7-16(12)19-10-25-20(11-24-19)26-21(27)17-8-23-9-18(22)13(17)2/h3-4,7-11,14H,5-6H2,1-2H3,(H,25,26,27)
InChIKeyOEDBGJMOXQAAGU-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.09
Rot. Bonds5

About N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010035) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010035
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1ccc(OC2CC2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C21H19FN4O2/c1-12-3-4-15(28-14-5-6-14)7-16(12)19-10-25-20(11-24-19)26-21(27)17-8-23-9-18(22)13(17)2/h3-4,7-11,14H,5-6H2,1-2H3,(H,25,26,27)
InChIKeyOEDBGJMOXQAAGU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010035) is N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1ccc(OC2CC2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is OEDBGJMOXQAAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-3-4-15(28-14-5-6-14)7-16(12)19-10-25-20(11-24-19)26-21(27)17-8-23-9-18(22)13(17)2/h3-4,7-11,14H,5-6H2,1-2H3,(H,25,26,27).
What are the key properties of N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyclopropyloxy-2-methylphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).