N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide

C12H21N5O — CID 114035854

IUPACN-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC(C)CCN(C)C)n1
InChIInChI=1S/C12H21N5O/c1-9(5-6-17(3)4)15-12(18)10-7-14-8-11(13-2)16-10/h7-9H,5-6H2,1-4H3,(H,13,16)(H,15,18)
InChIKeyJTHWRMZPLSSFTJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.59
Rot. Bonds6

About N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide

N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 114035854) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide
PubChem CID114035854
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC(C)CCN(C)C)n1
InChIInChI=1S/C12H21N5O/c1-9(5-6-17(3)4)15-12(18)10-7-14-8-11(13-2)16-10/h7-9H,5-6H2,1-4H3,(H,13,16)(H,15,18)
InChIKeyJTHWRMZPLSSFTJ-UHFFFAOYSA-N
XLogP0.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide (CID 114035854) is N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide is CNc1cncc(C(=O)NC(C)CCN(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is JTHWRMZPLSSFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(5-6-17(3)4)15-12(18)10-7-14-8-11(13-2)16-10/h7-9H,5-6H2,1-4H3,(H,13,16)(H,15,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114035854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).