N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide

C20H23F2N3O3 — CID 67508726

IUPACN-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(C(F)F)c2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C20H23F2N3O3/c1-11-8-15(10-16(23-11)25-19(27)20(3,4)28)18(26)24-12(2)13-6-5-7-14(9-13)17(21)22/h5-10,12,17,28H,1-4H3,(H,24,26)(H,23,25,27)
InChIKeyVEDZIRHGUKMJJZ-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.53
Rot. Bonds6

About N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide

N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide (PubChem CID 67508726) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
PubChem CID67508726
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(C(F)F)c2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C20H23F2N3O3/c1-11-8-15(10-16(23-11)25-19(27)20(3,4)28)18(26)24-12(2)13-6-5-7-14(9-13)17(21)22/h5-10,12,17,28H,1-4H3,(H,24,26)(H,23,25,27)
InChIKeyVEDZIRHGUKMJJZ-UHFFFAOYSA-N
XLogP3.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide (CID 67508726) is N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(C(F)F)c2)cc(NC(=O)C(C)(C)O)n1.
What is the InChIKey of N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
The InChIKey is VEDZIRHGUKMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-11-8-15(10-16(23-11)25-19(27)20(3,4)28)18(26)24-12(2)13-6-5-7-14(9-13)17(21)22/h5-10,12,17,28H,1-4H3,(H,24,26)(H,23,25,27).
What are the key properties of N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide?
N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethyl)phenyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 67508726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).