N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide

C19H20N2O2 — CID 72713624

IUPACN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cn1)C(C)(C)O
InChIInChI=1S/C19H20N2O2/c1-14(19(2,3)23)21-18(22)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-14,23H,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyFWSSNZRHTAACBP-CQSZACIVSA-N
MW308.38 g/mol
LogP2.37
Rot. Bonds3

About N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide

N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide (PubChem CID 72713624) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide
PubChem CID72713624
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cn1)C(C)(C)O
InChIInChI=1S/C19H20N2O2/c1-14(19(2,3)23)21-18(22)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-14,23H,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyFWSSNZRHTAACBP-CQSZACIVSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide (CID 72713624) is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide is C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cn1)C(C)(C)O.
What is the InChIKey of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide?
The InChIKey is FWSSNZRHTAACBP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(19(2,3)23)21-18(22)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-14,23H,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide?
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-phenylethynyl)pyridine-2-carboxamide is sourced from PubChem (CID 72713624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).