N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

C16H10ClFN4O2 — CID 53118352

IUPACN-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccn1
InChIInChI=1S/C16H10ClFN4O2/c17-11-9-10(4-5-12(11)18)22-8-7-20-14(16(22)24)21-15(23)13-3-1-2-6-19-13/h1-9H,(H,20,21,23)
InChIKeyJROQYBWCTCVCQB-UHFFFAOYSA-N
MW344.73 g/mol
LogP2.67
Rot. Bonds3

About N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 53118352) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
PubChem CID53118352
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC NameN-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccn1
InChIInChI=1S/C16H10ClFN4O2/c17-11-9-10(4-5-12(11)18)22-8-7-20-14(16(22)24)21-15(23)13-3-1-2-6-19-13/h1-9H,(H,20,21,23)
InChIKeyJROQYBWCTCVCQB-UHFFFAOYSA-N
XLogP2.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide (CID 53118352) is N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is O=C(Nc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccn1.
What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is JROQYBWCTCVCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-11-9-10(4-5-12(11)18)22-8-7-20-14(16(22)24)21-15(23)13-3-1-2-6-19-13/h1-9H,(H,20,21,23).
What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide?
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 344.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53118352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).