N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C20H20N4O3S — CID 27378479

IUPACN-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1
InChIInChI=1S/C20H20N4O3S/c1-12-5-6-13(2)16(10-12)23-17(25)8-7-14-11-28-20(22-14)24-19(27)15-4-3-9-21-18(15)26/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,25)(H,22,24,27)
InChIKeyBKRMCPGBALKXDD-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 27378479) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID27378479
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1
InChIInChI=1S/C20H20N4O3S/c1-12-5-6-13(2)16(10-12)23-17(25)8-7-14-11-28-20(22-14)24-19(27)15-4-3-9-21-18(15)26/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,25)(H,22,24,27)
InChIKeyBKRMCPGBALKXDD-UHFFFAOYSA-N
XLogP3.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 27378481
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655774
2-oxo-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881515
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657
N-[4-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208685
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 25475169
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90508297

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 27378479) is N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C)c(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1.
What is the InChIKey of N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BKRMCPGBALKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12-5-6-13(2)16(10-12)23-17(25)8-7-14-11-28-20(22-14)24-19(27)15-4-3-9-21-18(15)26/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,25)(H,22,24,27).
What are the key properties of N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27378479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).