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

C20H19ClN2O2S — CID 47061813

IUPAC5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2c[nH]c(=O)c(Cl)c2)s1
InChIInChI=1S/C20H19ClN2O2S/c1-14-7-8-17(26-14)13-23(10-9-15-5-3-2-4-6-15)20(25)16-11-18(21)19(24)22-12-16/h2-8,11-12H,9-10,13H2,1H3,(H,22,24)
InChIKeyNQUJIBQLQANELB-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.28
Rot. Bonds6

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

5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide (PubChem CID 47061813) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
PubChem CID47061813
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2c[nH]c(=O)c(Cl)c2)s1
InChIInChI=1S/C20H19ClN2O2S/c1-14-7-8-17(26-14)13-23(10-9-15-5-3-2-4-6-15)20(25)16-11-18(21)19(24)22-12-16/h2-8,11-12H,9-10,13H2,1H3,(H,22,24)
InChIKeyNQUJIBQLQANELB-UHFFFAOYSA-N
XLogP4.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 50981517
3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide
CID 7995051
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-nitro-N-(2-phenylethyl)benzamide
CID 18206620
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide
CID 55757012
4-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-(2-phenylethyl)benzamide
CID 18206826
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46823952
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide (CID 47061813) is 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)c2c[nH]c(=O)c(Cl)c2)s1.
What is the InChIKey of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NQUJIBQLQANELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-14-7-8-17(26-14)13-23(10-9-15-5-3-2-4-6-15)20(25)16-11-18(21)19(24)22-12-16/h2-8,11-12H,9-10,13H2,1H3,(H,22,24).
What are the key properties of 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide?
5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 386.90 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47061813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).