N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide

C13H19ClN4O2 — CID 107236595

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C13H19ClN4O2/c1-5-18(8-11(19)17-13(2,3)4)12(20)9-6-16-10(14)7-15-9/h6-7H,5,8H2,1-4H3,(H,17,19)
InChIKeyHPZZHGDIEQHFMW-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide (PubChem CID 107236595) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
PubChem CID107236595
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C13H19ClN4O2/c1-5-18(8-11(19)17-13(2,3)4)12(20)9-6-16-10(14)7-15-9/h6-7H,5,8H2,1-4H3,(H,17,19)
InChIKeyHPZZHGDIEQHFMW-UHFFFAOYSA-N
XLogP1.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
CID 51072889
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
CID 107244907
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
N-tert-butyl-5-chloropyrazine-2-carbothioamide
CID 11031668
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 37003412
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
CID 31289717
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
CID 39903137
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide (CID 107236595) is N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide?
The InChIKey is HPZZHGDIEQHFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-5-18(8-11(19)17-13(2,3)4)12(20)9-6-16-10(14)7-15-9/h6-7H,5,8H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 107236595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).