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

C16H18N2O3S — CID 95977536

IUPACN-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCOC1)c1ccc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C16H18N2O3S/c19-15(17-9-11-3-1-7-21-10-11)12-5-6-13(18-16(12)20)14-4-2-8-22-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyZRBRMDPRBCLPMA-NSHDSACASA-N
MW318.40 g/mol
LogP2.26
Rot. Bonds4

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

N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (PubChem CID 95977536) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
PubChem CID95977536
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCOC1)c1ccc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C16H18N2O3S/c19-15(17-9-11-3-1-7-21-10-11)12-5-6-13(18-16(12)20)14-4-2-8-22-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyZRBRMDPRBCLPMA-NSHDSACASA-N
XLogP2.26
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (CID 95977536) is N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is O=C(NC[C@@H]1CCCOC1)c1ccc(-c2cccs2)[nH]c1=O.
What is the InChIKey of N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is ZRBRMDPRBCLPMA-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-15(17-9-11-3-1-7-21-10-11)12-5-6-13(18-16(12)20)14-4-2-8-22-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).