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

C13H14N4O3S — CID 16881607

IUPACN-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C13H14N4O3S/c1-2-14-11(19)5-9-7-21-13(16-9)17-12(20)8-3-4-10(18)15-6-8/h3-4,6-7H,2,5H2,1H3,(H,14,19)(H,15,18)(H,16,17,20)
InChIKeyAGHKITXDMZBDNE-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.76
Rot. Bonds5

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

N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881607) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID16881607
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C13H14N4O3S/c1-2-14-11(19)5-9-7-21-13(16-9)17-12(20)8-3-4-10(18)15-6-8/h3-4,6-7H,2,5H2,1H3,(H,14,19)(H,15,18)(H,16,17,20)
InChIKeyAGHKITXDMZBDNE-UHFFFAOYSA-N
XLogP0.76
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881648
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881715
N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881593
N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881678
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
N-[4-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 27378495
6-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881703
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881599
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 16881607) is N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is CCNC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AGHKITXDMZBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-14-11(19)5-9-7-21-13(16-9)17-12(20)8-3-4-10(18)15-6-8/h3-4,6-7H,2,5H2,1H3,(H,14,19)(H,15,18)(H,16,17,20).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).