N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C22H15ClFN5O2 — CID 71010062

IUPACN-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1ccc(-c2cc(Oc3ncccn3)ccc2Cl)cn1
InChIInChI=1S/C22H15ClFN5O2/c1-13-17(11-25-12-19(13)24)21(30)29-20-6-3-14(10-28-20)16-9-15(4-5-18(16)23)31-22-26-7-2-8-27-22/h2-12H,1H3,(H,28,29,30)
InChIKeyNPCATOYHZBQLOI-UHFFFAOYSA-N
MW435.85 g/mol
LogP5.08
Rot. Bonds5

About N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010062) has the molecular formula C22H15ClFN5O2 and a molecular weight of 435.85 g/mol. Its IUPAC name is N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010062
Molecular FormulaC22H15ClFN5O2
Molecular Weight435.85 g/mol
Exact Mass435.09
IUPAC NameN-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1ccc(-c2cc(Oc3ncccn3)ccc2Cl)cn1
InChIInChI=1S/C22H15ClFN5O2/c1-13-17(11-25-12-19(13)24)21(30)29-20-6-3-14(10-28-20)16-9-15(4-5-18(16)23)31-22-26-7-2-8-27-22/h2-12H,1H3,(H,28,29,30)
InChIKeyNPCATOYHZBQLOI-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-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010062) is N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1c(F)cncc1C(=O)Nc1ccc(-c2cc(Oc3ncccn3)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is NPCATOYHZBQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O2/c1-13-17(11-25-12-19(13)24)21(30)29-20-6-3-14(10-28-20)16-9-15(4-5-18(16)23)31-22-26-7-2-8-27-22/h2-12H,1H3,(H,28,29,30).
What are the key properties of N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-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-pyrimidin-2-yloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).