N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C13H13ClN2O3S — CID 95988579

IUPACN-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O3S/c1-7-2-3-8(13(19)16-7)12(18)15-6-9(17)10-4-5-11(14)20-10/h2-5,9,17H,6H2,1H3,(H,15,18)(H,16,19)/t9-/m1/s1
InChIKeyPIVPQMJPMKEJGO-SECBINFHSA-N
MW312.78 g/mol
LogP1.86
Rot. Bonds4

About N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95988579) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95988579
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O3S/c1-7-2-3-8(13(19)16-7)12(18)15-6-9(17)10-4-5-11(14)20-10/h2-5,9,17H,6H2,1H3,(H,15,18)(H,16,19)/t9-/m1/s1
InChIKeyPIVPQMJPMKEJGO-SECBINFHSA-N
XLogP1.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977087
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 71989480
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113451622
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111486696
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 104772766
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
N-[(5-chlorothiophen-2-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 86768754
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 95988289
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976208

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95988579) is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)s2)c(=O)[nH]1.
What is the InChIKey of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PIVPQMJPMKEJGO-SECBINFHSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-7-2-3-8(13(19)16-7)12(18)15-6-9(17)10-4-5-11(14)20-10/h2-5,9,17H,6H2,1H3,(H,15,18)(H,16,19)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 312.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95988579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).