2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide

C12H17N5O — CID 103469330

IUPAC2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H17N5O/c1-4-17(3)12(18)8(2)15-11-6-5-9(14)10(7-13)16-11/h5-6,8H,4,14H2,1-3H3,(H,15,16)
InChIKeyBKDJWLOXDRSUJI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.81
Rot. Bonds4

About 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide

2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103469330) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103469330
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H17N5O/c1-4-17(3)12(18)8(2)15-11-6-5-9(14)10(7-13)16-11/h5-6,8H,4,14H2,1-3H3,(H,15,16)
InChIKeyBKDJWLOXDRSUJI-UHFFFAOYSA-N
XLogP0.81
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide (CID 103469330) is 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is BKDJWLOXDRSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17(3)12(18)8(2)15-11-6-5-9(14)10(7-13)16-11/h5-6,8H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 247.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103469330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).