5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C15H17ClN2O3S — CID 50981517

IUPAC5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(CN(CCCO)C(=O)c2c[nH]c(=O)c(Cl)c2)s1
InChIInChI=1S/C15H17ClN2O3S/c1-10-3-4-12(22-10)9-18(5-2-6-19)15(21)11-7-13(16)14(20)17-8-11/h3-4,7-8,19H,2,5-6,9H2,1H3,(H,17,20)
InChIKeyKQEOMMXZUXQZPM-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.42
Rot. Bonds6

About 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 50981517) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID50981517
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(CN(CCCO)C(=O)c2c[nH]c(=O)c(Cl)c2)s1
InChIInChI=1S/C15H17ClN2O3S/c1-10-3-4-12(22-10)9-18(5-2-6-19)15(21)11-7-13(16)14(20)17-8-11/h3-4,7-8,19H,2,5-6,9H2,1H3,(H,17,20)
InChIKeyKQEOMMXZUXQZPM-UHFFFAOYSA-N
XLogP2.42
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 47061813
N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 46995462
N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 47293478
N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 46999685
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
CID 72889827
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 115771926
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-4-methylbenzamide
CID 5138821
N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 77083995
3-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzamide
CID 3801810
N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
CID 50982102
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
3-bromo-N-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4032038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 50981517) is 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(CN(CCCO)C(=O)c2c[nH]c(=O)c(Cl)c2)s1.
What is the InChIKey of 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KQEOMMXZUXQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-10-3-4-12(22-10)9-18(5-2-6-19)15(21)11-7-13(16)14(20)17-8-11/h3-4,7-8,19H,2,5-6,9H2,1H3,(H,17,20).
What are the key properties of 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 50981517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).