N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide

C22H19ClFN5O2S — CID 59833350

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCSCC2)nc1
InChIInChI=1S/C22H19ClFN5O2S/c23-15-2-5-19(25-13-15)28-22(31)17-11-16(24)3-4-18(17)27-21(30)14-1-6-20(26-12-14)29-7-9-32-10-8-29/h1-6,11-13H,7-10H2,(H,27,30)(H,25,28,31)
InChIKeyJZGLJZOEUGWCCP-UHFFFAOYSA-N
MW471.95 g/mol
LogP4.33
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide (PubChem CID 59833350) has the molecular formula C22H19ClFN5O2S and a molecular weight of 471.95 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide
PubChem CID59833350
Molecular FormulaC22H19ClFN5O2S
Molecular Weight471.95 g/mol
Exact Mass471.09
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCSCC2)nc1
InChIInChI=1S/C22H19ClFN5O2S/c23-15-2-5-19(25-13-15)28-22(31)17-11-16(24)3-4-18(17)27-21(30)14-1-6-20(26-12-14)29-7-9-32-10-8-29/h1-6,11-13H,7-10H2,(H,27,30)(H,25,28,31)
InChIKeyJZGLJZOEUGWCCP-UHFFFAOYSA-N
XLogP4.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide (CID 59833350) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide is O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCSCC2)nc1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide?
The InChIKey is JZGLJZOEUGWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2S/c23-15-2-5-19(25-13-15)28-22(31)17-11-16(24)3-4-18(17)27-21(30)14-1-6-20(26-12-14)29-7-9-32-10-8-29/h1-6,11-13H,7-10H2,(H,27,30)(H,25,28,31).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide has a molecular weight of 471.95 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 59833350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).