2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide

C11H18N4O — CID 106343886

IUPAC2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
SMILESCc1ccc(N)c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-6(2)9(10(13)16)15-11-8(12)5-4-7(3)14-11/h4-6,9H,12H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyZNMQXDRUWKPDDH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.89
Rot. Bonds4

About 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide

2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106343886) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106343886
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
SMILESCc1ccc(N)c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-6(2)9(10(13)16)15-11-8(12)5-4-7(3)14-11/h4-6,9H,12H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyZNMQXDRUWKPDDH-UHFFFAOYSA-N
XLogP0.89
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide (CID 106343886) is 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide is Cc1ccc(N)c(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is ZNMQXDRUWKPDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6(2)9(10(13)16)15-11-8(12)5-4-7(3)14-11/h4-6,9H,12H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide?
2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106343886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).