N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide

C24H28N6O5S — CID 118870870

IUPACN-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C24H28N6O5S/c1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32)
InChIKeyKRAKJGFWCBETHP-UHFFFAOYSA-N
MW512.59 g/mol
LogP1.74
Rot. Bonds8

About N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide

N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 118870870) has the molecular formula C24H28N6O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID118870870
Molecular FormulaC24H28N6O5S
Molecular Weight512.59 g/mol
Exact Mass512.18
IUPAC NameN-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C24H28N6O5S/c1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32)
InChIKeyKRAKJGFWCBETHP-UHFFFAOYSA-N
XLogP1.74
TPSA146.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (CID 118870870) is N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.
What is the InChIKey of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is KRAKJGFWCBETHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5S/c1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32).
What are the key properties of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 118870870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).