5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide

C25H25F2N3O3 — CID 156646561

IUPAC5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(C)c(C(=O)NC(C)C)c1
InChIInChI=1S/C25H25F2N3O3/c1-13(2)29-24(32)22-10-17(12-28-15(22)4)21-6-5-20(7-14(21)3)30-25(33)23(31)16-8-18(26)11-19(27)9-16/h5-13,23,31H,1-4H3,(H,29,32)(H,30,33)/t23-/m1/s1
InChIKeyHZQGFXQCDQMBMH-HSZRJFAPSA-N
MW453.49 g/mol
LogP4.45
Rot. Bonds6

About 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide

5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 156646561) has the molecular formula C25H25F2N3O3 and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID156646561
Molecular FormulaC25H25F2N3O3
Molecular Weight453.49 g/mol
Exact Mass453.19
IUPAC Name5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(C)c(C(=O)NC(C)C)c1
InChIInChI=1S/C25H25F2N3O3/c1-13(2)29-24(32)22-10-17(12-28-15(22)4)21-6-5-20(7-14(21)3)30-25(33)23(31)16-8-18(26)11-19(27)9-16/h5-13,23,31H,1-4H3,(H,29,32)(H,30,33)/t23-/m1/s1
InChIKeyHZQGFXQCDQMBMH-HSZRJFAPSA-N
XLogP4.45
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-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 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 156646561) is 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide is Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(C)c(C(=O)NC(C)C)c1.
What is the InChIKey of 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is HZQGFXQCDQMBMH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25F2N3O3/c1-13(2)29-24(32)22-10-17(12-28-15(22)4)21-6-5-20(7-14(21)3)30-25(33)23(31)16-8-18(26)11-19(27)9-16/h5-13,23,31H,1-4H3,(H,29,32)(H,30,33)/t23-/m1/s1.
What are the key properties of 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide?
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 156646561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).