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

C22H16ClN5O2 — CID 71010055

IUPACN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1
InChIInChI=1S/C22H16ClN5O2/c1-14-7-9-24-11-17(14)22(29)28-20-13-26-19(12-27-20)16-10-15(5-6-18(16)23)30-21-4-2-3-8-25-21/h2-13H,1H3,(H,27,28,29)
InChIKeyWQXPJLXSBWEPJD-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.94
Rot. Bonds5

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

N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 71010055) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID71010055
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1
InChIInChI=1S/C22H16ClN5O2/c1-14-7-9-24-11-17(14)22(29)28-20-13-26-19(12-27-20)16-10-15(5-6-18(16)23)30-21-4-2-3-8-25-21/h2-13H,1H3,(H,27,28,29)
InChIKeyWQXPJLXSBWEPJD-UHFFFAOYSA-N
XLogP4.94
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.94
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]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 71010055) is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is WQXPJLXSBWEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c1-14-7-9-24-11-17(14)22(29)28-20-13-26-19(12-27-20)16-10-15(5-6-18(16)23)30-21-4-2-3-8-25-21/h2-13H,1H3,(H,27,28,29).
What are the key properties of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 417.86 g/mol, XLogP of 4.94, 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]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).