6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

C20H15N5O3S — CID 75120554

IUPAC6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESO=C1C=CC(C(=O)Nc2nc(CC(=O)Nc3cccc4ncccc34)cs2)C=N1
InChIInChI=1S/C20H15N5O3S/c26-17-7-6-12(10-22-17)19(28)25-20-23-13(11-29-20)9-18(27)24-16-5-1-4-15-14(16)3-2-8-21-15/h1-8,10-12H,9H2,(H,24,27)(H,23,25,28)
InChIKeyBDWKMUJGWNDIRW-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.59
Rot. Bonds5

About 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (PubChem CID 75120554) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
PubChem CID75120554
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC Name6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESO=C1C=CC(C(=O)Nc2nc(CC(=O)Nc3cccc4ncccc34)cs2)C=N1
InChIInChI=1S/C20H15N5O3S/c26-17-7-6-12(10-22-17)19(28)25-20-23-13(11-29-20)9-18(27)24-16-5-1-4-15-14(16)3-2-8-21-15/h1-8,10-12H,9H2,(H,24,27)(H,23,25,28)
InChIKeyBDWKMUJGWNDIRW-UHFFFAOYSA-N
XLogP2.59
TPSA113.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
CID 73339054
6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338983
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
CID 16594941
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338988
ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
CID 73339075
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
CID 30941352
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
CID 82155136
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (CID 75120554) is 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is O=C1C=CC(C(=O)Nc2nc(CC(=O)Nc3cccc4ncccc34)cs2)C=N1.
What is the InChIKey of 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The InChIKey is BDWKMUJGWNDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c26-17-7-6-12(10-22-17)19(28)25-20-23-13(11-29-20)9-18(27)24-16-5-1-4-15-14(16)3-2-8-21-15/h1-8,10-12H,9H2,(H,24,27)(H,23,25,28).
What are the key properties of 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is sourced from PubChem (CID 75120554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).