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

C19H17ClN4O3S — CID 27378481

IUPACN-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C19H17ClN4O3S/c1-11-14(20)5-2-6-15(11)23-16(25)8-7-12-10-28-19(22-12)24-18(27)13-4-3-9-21-17(13)26/h2-6,9-10H,7-8H2,1H3,(H,21,26)(H,23,25)(H,22,24,27)
InChIKeyYDPZODZSCYRQGR-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.62
Rot. Bonds6

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

N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 27378481) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID27378481
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC NameN-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C19H17ClN4O3S/c1-11-14(20)5-2-6-15(11)23-16(25)8-7-12-10-28-19(22-12)24-18(27)13-4-3-9-21-17(13)26/h2-6,9-10H,7-8H2,1H3,(H,21,26)(H,23,25)(H,22,24,27)
InChIKeyYDPZODZSCYRQGR-UHFFFAOYSA-N
XLogP3.62
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 27378479
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655774
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107097418
2-oxo-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881515
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841739
3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110330174
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 27378481) is N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1.
What is the InChIKey of N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YDPZODZSCYRQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-11-14(20)5-2-6-15(11)23-16(25)8-7-12-10-28-19(22-12)24-18(27)13-4-3-9-21-17(13)26/h2-6,9-10H,7-8H2,1H3,(H,21,26)(H,23,25)(H,22,24,27).
What are the key properties of N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 416.89 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27378481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).