N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide

C18H15FN4O2 — CID 54582823

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyJVJRXNFULOSTER-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.62
Rot. Bonds5

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide (PubChem CID 54582823) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
PubChem CID54582823
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyJVJRXNFULOSTER-UHFFFAOYSA-N
XLogP2.62
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide (CID 54582823) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide is COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The InChIKey is JVJRXNFULOSTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 54582823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).