N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C20H20N4O5S — CID 27378495

IUPACN-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-28-15-6-4-13(9-16(15)29-2)22-18(26)8-5-14-11-30-20(23-14)24-19(27)12-3-7-17(25)21-10-12/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
InChIKeyVAMRVEOXSPMXAE-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.67
Rot. Bonds8

About N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 27378495) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID27378495
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1OC
InChIInChI=1S/C20H20N4O5S/c1-28-15-6-4-13(9-16(15)29-2)22-18(26)8-5-14-11-30-20(23-14)24-19(27)12-3-7-17(25)21-10-12/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
InChIKeyVAMRVEOXSPMXAE-UHFFFAOYSA-N
XLogP2.67
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208889
6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881648
N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881678
N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881607
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
CID 42208627
N-[4-[2-(butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18567989
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
3,4-dimethoxy-N-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230290

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 27378495) is N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1OC.
What is the InChIKey of N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VAMRVEOXSPMXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-28-15-6-4-13(9-16(15)29-2)22-18(26)8-5-14-11-30-20(23-14)24-19(27)12-3-7-17(25)21-10-12/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,21,25)(H,22,26)(H,23,24,27).
What are the key properties of N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27378495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).