N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide

C20H20N2O2S — CID 95047719

IUPACN-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(-c2cccs2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-13(2)18(14-7-4-3-5-8-14)22-20(24)15-10-11-16(21-19(15)23)17-9-6-12-25-17/h3-13,18H,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyPICNYVMZYCSASB-GOSISDBHSA-N
MW352.46 g/mol
LogP4.23
Rot. Bonds5

About N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide

N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (PubChem CID 95047719) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
PubChem CID95047719
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(-c2cccs2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-13(2)18(14-7-4-3-5-8-14)22-20(24)15-10-11-16(21-19(15)23)17-9-6-12-25-17/h3-13,18H,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyPICNYVMZYCSASB-GOSISDBHSA-N
XLogP4.23
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (CID 95047719) is N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is CC(C)[C@@H](NC(=O)c1ccc(-c2cccs2)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is PICNYVMZYCSASB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13(2)18(14-7-4-3-5-8-14)22-20(24)15-10-11-16(21-19(15)23)17-9-6-12-25-17/h3-13,18H,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95047719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).