6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide

C12H21N5O — CID 114036119

IUPAC6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cncc(N)n1
InChIInChI=1S/C12H21N5O/c1-4-17(7-5-6-16(2)3)12(18)10-8-14-9-11(13)15-10/h8-9H,4-7H2,1-3H3,(H2,13,15)
InChIKeyRXNYOGZFYVOFEB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.47
Rot. Bonds6

About 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide

6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide (PubChem CID 114036119) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide
PubChem CID114036119
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cncc(N)n1
InChIInChI=1S/C12H21N5O/c1-4-17(7-5-6-16(2)3)12(18)10-8-14-9-11(13)15-10/h8-9H,4-7H2,1-3H3,(H2,13,15)
InChIKeyRXNYOGZFYVOFEB-UHFFFAOYSA-N
XLogP0.47
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 102992909
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
CID 106551556
6-amino-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 114035687
4-amino-5-cyclopropyl-N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 102990884
N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 102996743
4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 102999162
1-(6-aminopyrazin-2-yl)ethanone
CID 146315593
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyrazine-2-carboxamide
CID 114134895
N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide
CID 106551596
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide (CID 114036119) is 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide is CCN(CCCN(C)C)C(=O)c1cncc(N)n1.
What is the InChIKey of 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide?
The InChIKey is RXNYOGZFYVOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(7-5-6-16(2)3)12(18)10-8-14-9-11(13)15-10/h8-9H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide?
6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 114036119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).