N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide

C16H16F2N2O2 — CID 95627815

IUPACN-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C16H16F2N2O2/c1-10-4-3-5-14(20-10)15(21)19-9-16(2,22)12-7-6-11(17)8-13(12)18/h3-8,22H,9H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyYLEPZOYTURVWKR-INIZCTEOSA-N
MW306.31 g/mol
LogP2.31
Rot. Bonds4

About N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide

N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide (PubChem CID 95627815) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
PubChem CID95627815
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC NameN-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C16H16F2N2O2/c1-10-4-3-5-14(20-10)15(21)19-9-16(2,22)12-7-6-11(17)8-13(12)18/h3-8,22H,9H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyYLEPZOYTURVWKR-INIZCTEOSA-N
XLogP2.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide (CID 95627815) is N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1.
What is the InChIKey of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
The InChIKey is YLEPZOYTURVWKR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10-4-3-5-14(20-10)15(21)19-9-16(2,22)12-7-6-11(17)8-13(12)18/h3-8,22H,9H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide?
N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 95627815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).