3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide

C10H16N4O — CID 106095700

IUPAC3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(N)ccn1
InChIInChI=1S/C10H16N4O/c1-10(2,6-8(12)15)14-9-5-7(11)3-4-13-9/h3-5H,6H2,1-2H3,(H2,12,15)(H3,11,13,14)
InChIKeyMZSOQNUVCUAIAY-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.73
Rot. Bonds4

About 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide

3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106095700) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106095700
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(N)ccn1
InChIInChI=1S/C10H16N4O/c1-10(2,6-8(12)15)14-9-5-7(11)3-4-13-9/h3-5H,6H2,1-2H3,(H2,12,15)(H3,11,13,14)
InChIKeyMZSOQNUVCUAIAY-UHFFFAOYSA-N
XLogP0.73
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
3-[4-amino-2-(difluoromethyl)anilino]-3-methylbutanamide
CID 106095545
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 106098402
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 114142761
3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
CID 106097009
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide (CID 106095700) is 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1cc(N)ccn1.
What is the InChIKey of 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is MZSOQNUVCUAIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,6-8(12)15)14-9-5-7(11)3-4-13-9/h3-5H,6H2,1-2H3,(H2,12,15)(H3,11,13,14).
What are the key properties of 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide?
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 208.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106095700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).