5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide

C12H17ClN4O2 — CID 103803319

IUPAC5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H17ClN4O2/c1-4-17(5-2)11(18)8-16(3)12(19)9-6-15-10(13)7-14-9/h6-7H,4-5,8H2,1-3H3
InChIKeyQYGHEIPJKDUHKO-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.07
Rot. Bonds5

About 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 103803319) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
PubChem CID103803319
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H17ClN4O2/c1-4-17(5-2)11(18)8-16(3)12(19)9-6-15-10(13)7-14-9/h6-7H,4-5,8H2,1-3H3
InChIKeyQYGHEIPJKDUHKO-UHFFFAOYSA-N
XLogP1.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
CID 107236595
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495
5-chloro-N-(furan-3-ylmethyl)-N-methylpyrazine-2-carboxamide
CID 107252485
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
CID 107244907
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 113265016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (CID 103803319) is 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is QYGHEIPJKDUHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-4-17(5-2)11(18)8-16(3)12(19)9-6-15-10(13)7-14-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103803319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).