3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide

C11H18N4O — CID 106098680

IUPAC3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
SMILESCNc1cncc(NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C11H18N4O/c1-11(2,5-10(12)16)15-9-4-8(13-3)6-14-7-9/h4,6-7,13,15H,5H2,1-3H3,(H2,12,16)
InChIKeyHPWJKAKBOPREOM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds5

About 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide

3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide (PubChem CID 106098680) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
PubChem CID106098680
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
SMILESCNc1cncc(NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C11H18N4O/c1-11(2,5-10(12)16)15-9-4-8(13-3)6-14-7-9/h4,6-7,13,15H,5H2,1-3H3,(H2,12,16)
InChIKeyHPWJKAKBOPREOM-UHFFFAOYSA-N
XLogP1.19
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
CID 106098779
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide
CID 114143012
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-[(6-carbamothioyl-3-pyridinyl)amino]-3-methylbutanamide
CID 106096803
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
3-(3-amino-4-cyanoanilino)-3-methylbutanamide
CID 106095552
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide (CID 106098680) is 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide is CNc1cncc(NC(C)(C)CC(N)=O)c1.
What is the InChIKey of 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide?
The InChIKey is HPWJKAKBOPREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,5-10(12)16)15-9-4-8(13-3)6-14-7-9/h4,6-7,13,15H,5H2,1-3H3,(H2,12,16).
What are the key properties of 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide?
3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide is sourced from PubChem (CID 106098680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).