N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

C22H15ClFN5O2 — CID 70978064

IUPACN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1
InChIInChI=1S/C22H15ClFN5O2/c1-13-16(9-25-10-18(13)24)22(30)29-20-12-27-19(11-28-20)15-8-14(5-6-17(15)23)31-21-4-2-3-7-26-21/h2-12H,1H3,(H,28,29,30)
InChIKeyXTFDQYOBFJXKHU-UHFFFAOYSA-N
MW435.85 g/mol
LogP5.08
Rot. Bonds5

About N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978064) has the molecular formula C22H15ClFN5O2 and a molecular weight of 435.85 g/mol. Its IUPAC name is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978064
Molecular FormulaC22H15ClFN5O2
Molecular Weight435.85 g/mol
Exact Mass435.09
IUPAC NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1
InChIInChI=1S/C22H15ClFN5O2/c1-13-16(9-25-10-18(13)24)22(30)29-20-12-27-19(11-28-20)15-8-14(5-6-17(15)23)31-21-4-2-3-7-26-21/h2-12H,1H3,(H,28,29,30)
InChIKeyXTFDQYOBFJXKHU-UHFFFAOYSA-N
XLogP5.08
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.85
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978064) is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1c(F)cncc1C(=O)Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is XTFDQYOBFJXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O2/c1-13-16(9-25-10-18(13)24)22(30)29-20-12-27-19(11-28-20)15-8-14(5-6-17(15)23)31-21-4-2-3-7-26-21/h2-12H,1H3,(H,28,29,30).
What are the key properties of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 435.85 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).