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

C18H15N5O4S — CID 16881715

IUPACN-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C18H15N5O4S/c19-16(26)12-3-1-2-4-13(12)22-15(25)7-11-9-28-18(21-11)23-17(27)10-5-6-14(24)20-8-10/h1-6,8-9H,7H2,(H2,19,26)(H,20,24)(H,22,25)(H,21,23,27)
InChIKeyYJCSLKVDMJBGRZ-UHFFFAOYSA-N
MW397.42 g/mol
LogP1.36
Rot. Bonds6

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

N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881715) has the molecular formula C18H15N5O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID16881715
Molecular FormulaC18H15N5O4S
Molecular Weight397.42 g/mol
Exact Mass397.08
IUPAC NameN-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C18H15N5O4S/c19-16(26)12-3-1-2-4-13(12)22-15(25)7-11-9-28-18(21-11)23-17(27)10-5-6-14(24)20-8-10/h1-6,8-9H,7H2,(H2,19,26)(H,20,24)(H,22,25)(H,21,23,27)
InChIKeyYJCSLKVDMJBGRZ-UHFFFAOYSA-N
XLogP1.36
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881607
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
2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 55413439
N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881593
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
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
N-[4-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 34755088
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 16881715) is N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1.
What is the InChIKey of N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YJCSLKVDMJBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4S/c19-16(26)12-3-1-2-4-13(12)22-15(25)7-11-9-28-18(21-11)23-17(27)10-5-6-14(24)20-8-10/h1-6,8-9H,7H2,(H2,19,26)(H,20,24)(H,22,25)(H,21,23,27).
What are the key properties of N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).