6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide

C13H21ClN4O — CID 103186784

IUPAC6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cncc(Cl)n1)C(C)C
InChIInChI=1S/C13H21ClN4O/c1-9(2)18(10(3)4)6-5-16-13(19)11-7-15-8-12(14)17-11/h7-10H,5-6H2,1-4H3,(H,16,19)
InChIKeyMVSALVCGTIABCP-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.98
Rot. Bonds6

About 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 103186784) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID103186784
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cncc(Cl)n1)C(C)C
InChIInChI=1S/C13H21ClN4O/c1-9(2)18(10(3)4)6-5-16-13(19)11-7-15-8-12(14)17-11/h7-10H,5-6H2,1-4H3,(H,16,19)
InChIKeyMVSALVCGTIABCP-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
CID 106551219
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 106551043

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide (CID 103186784) is 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide is CC(C)N(CCNC(=O)c1cncc(Cl)n1)C(C)C.
What is the InChIKey of 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is MVSALVCGTIABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)18(10(3)4)6-5-16-13(19)11-7-15-8-12(14)17-11/h7-10H,5-6H2,1-4H3,(H,16,19).
What are the key properties of 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103186784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).