2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide

C10H13N5O — CID 62673065

IUPAC2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nccnc1C#N)C(=O)N(C)C
InChIInChI=1S/C10H13N5O/c1-7(10(16)15(2)3)14-9-8(6-11)12-4-5-13-9/h4-5,7H,1-3H3,(H,13,14)
InChIKeyBHWKOMCRQVQKLG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.24
Rot. Bonds3

About 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide

2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 62673065) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID62673065
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1nccnc1C#N)C(=O)N(C)C
InChIInChI=1S/C10H13N5O/c1-7(10(16)15(2)3)14-9-8(6-11)12-4-5-13-9/h4-5,7H,1-3H3,(H,13,14)
InChIKeyBHWKOMCRQVQKLG-UHFFFAOYSA-N
XLogP0.24
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide (CID 62673065) is 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide is CC(Nc1nccnc1C#N)C(=O)N(C)C.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is BHWKOMCRQVQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(10(16)15(2)3)14-9-8(6-11)12-4-5-13-9/h4-5,7H,1-3H3,(H,13,14).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide?
2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 219.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62673065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).