N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide

C16H11ClFN5O2 — CID 11552233

IUPACN-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ncc(Cl)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C16H11ClFN5O2/c1-25-16-11(4-9(17)5-22-16)13-7-21-14(8-20-13)23-15(24)10-2-3-19-6-12(10)18/h2-8H,1H3,(H,21,23,24)
InChIKeyWYYFLJPFDJDBPN-UHFFFAOYSA-N
MW359.75 g/mol
LogP2.99
Rot. Bonds4

About N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide

N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 11552233) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID11552233
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC NameN-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ncc(Cl)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C16H11ClFN5O2/c1-25-16-11(4-9(17)5-22-16)13-7-21-14(8-20-13)23-15(24)10-2-3-19-6-12(10)18/h2-8H,1H3,(H,21,23,24)
InChIKeyWYYFLJPFDJDBPN-UHFFFAOYSA-N
XLogP2.99
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (CID 11552233) is N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is COc1ncc(Cl)cc1-c1cnc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is WYYFLJPFDJDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c1-25-16-11(4-9(17)5-22-16)13-7-21-14(8-20-13)23-15(24)10-2-3-19-6-12(10)18/h2-8H,1H3,(H,21,23,24).
What are the key properties of N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 359.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxy-3-pyridinyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 11552233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).