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

C22H23N5O4S — CID 86297689

IUPACN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H23N5O4S/c1-15-19(16-3-5-23-20(11-16)27-7-9-31-10-8-27)13-18(14-25-15)26-22(28)17-4-6-24-21(12-17)32(2,29)30/h3-6,11-14H,7-10H2,1-2H3,(H,26,28)
InChIKeyUDAKXGQSHNCYDD-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.34
Rot. Bonds5

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

N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 86297689) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID86297689
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H23N5O4S/c1-15-19(16-3-5-23-20(11-16)27-7-9-31-10-8-27)13-18(14-25-15)26-22(28)17-4-6-24-21(12-17)32(2,29)30/h3-6,11-14H,7-10H2,1-2H3,(H,26,28)
InChIKeyUDAKXGQSHNCYDD-UHFFFAOYSA-N
XLogP2.34
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (CID 86297689) is N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is UDAKXGQSHNCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-15-19(16-3-5-23-20(11-16)27-7-9-31-10-8-27)13-18(14-25-15)26-22(28)17-4-6-24-21(12-17)32(2,29)30/h3-6,11-14H,7-10H2,1-2H3,(H,26,28).
What are the key properties of N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 86297689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).