[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C13H11ClN4O3 — CID 2587214

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cn1
InChIInChI=1S/C13H11ClN4O3/c1-8-4-16-10(6-15-8)13(20)21-7-12(19)18-11-3-2-9(14)5-17-11/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyYCMASMIGDDBSQS-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.63
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2587214) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2587214
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cn1
InChIInChI=1S/C13H11ClN4O3/c1-8-4-16-10(6-15-8)13(20)21-7-12(19)18-11-3-2-9(14)5-17-11/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyYCMASMIGDDBSQS-UHFFFAOYSA-N
XLogP1.63
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-Chloropyrid-2-yl)carbamoylpyrazine-2-carboxylic acid
CID 3280818
[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2351075
Pyrazinic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester
CID 23774933
[(5-Chloropyridin-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 7351803
N-(5-chloropyridin-2-yl)pyrazine-2-carboxamide
CID 3421111
[2-(4-Chloroanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2336875
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2377624
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985530
[2-(3-Chloroanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2334976
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 16272976
N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275941
Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 901008

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2587214) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is YCMASMIGDDBSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-8-4-16-10(6-15-8)13(20)21-7-12(19)18-11-3-2-9(14)5-17-11/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 306.71 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).