3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide

C11H18N4O — CID 60837788

IUPAC3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
SMILESCC(N)CC(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C11H18N4O/c1-8(12)6-11(16)14-9-7-13-5-4-10(9)15(2)3/h4-5,7-8H,6,12H2,1-3H3,(H,14,16)
InChIKeyQUFAGMGGKYQVLN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.82
Rot. Bonds4

About 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide

3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide (PubChem CID 60837788) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
PubChem CID60837788
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
SMILESCC(N)CC(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C11H18N4O/c1-8(12)6-11(16)14-9-7-13-5-4-10(9)15(2)3/h4-5,7-8H,6,12H2,1-3H3,(H,14,16)
InChIKeyQUFAGMGGKYQVLN-UHFFFAOYSA-N
XLogP0.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide (CID 60837788) is 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide is CC(N)CC(=O)Nc1cnccc1N(C)C.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
The InChIKey is QUFAGMGGKYQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(12)6-11(16)14-9-7-13-5-4-10(9)15(2)3/h4-5,7-8H,6,12H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide has a molecular weight of 222.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 60837788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).