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

C20H19N5O4S — CID 74526973

IUPACN-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)cc1
InChIInChI=1S/C20H19N5O4S/c1-12(26)22-13-4-6-14(7-5-13)23-17(27)9-8-15-11-30-20(24-15)25-19(29)16-3-2-10-21-18(16)28/h2-7,10-11,16H,8-9H2,1H3,(H,22,26)(H,23,27)(H,24,25,29)
InChIKeyVXDOGGHTBCRULY-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.39
Rot. Bonds7

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

N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide (PubChem CID 74526973) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
PubChem CID74526973
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC NameN-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)cc1
InChIInChI=1S/C20H19N5O4S/c1-12(26)22-13-4-6-14(7-5-13)23-17(27)9-8-15-11-30-20(24-15)25-19(29)16-3-2-10-21-18(16)28/h2-7,10-11,16H,8-9H2,1H3,(H,22,26)(H,23,27)(H,24,25,29)
InChIKeyVXDOGGHTBCRULY-UHFFFAOYSA-N
XLogP2.39
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338898
N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74597654
2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120103
2-oxo-N-[4-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75118812
N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048
ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate
CID 74526928
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 73338863
N-[4-[3-(5-acetamido-2-methoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208889
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide (CID 74526973) is N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)cc1.
What is the InChIKey of N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
The InChIKey is VXDOGGHTBCRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-12(26)22-13-4-6-14(7-5-13)23-17(27)9-8-15-11-30-20(24-15)25-19(29)16-3-2-10-21-18(16)28/h2-7,10-11,16H,8-9H2,1H3,(H,22,26)(H,23,27)(H,24,25,29).
What are the key properties of N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 74526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).