4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide

C12H20N4O — CID 119850383

IUPAC4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
SMILESCN(C)c1ncccc1CNC(=O)CCCN
InChIInChI=1S/C12H20N4O/c1-16(2)12-10(5-4-8-14-12)9-15-11(17)6-3-7-13/h4-5,8H,3,6-7,9,13H2,1-2H3,(H,15,17)
InChIKeyJEPJFGMYFXBFQU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.50
Rot. Bonds6

About 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide

4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide (PubChem CID 119850383) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
PubChem CID119850383
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
SMILESCN(C)c1ncccc1CNC(=O)CCCN
InChIInChI=1S/C12H20N4O/c1-16(2)12-10(5-4-8-14-12)9-15-11(17)6-3-7-13/h4-5,8H,3,6-7,9,13H2,1-2H3,(H,15,17)
InChIKeyJEPJFGMYFXBFQU-UHFFFAOYSA-N
XLogP0.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
CID 42244968
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide (CID 119850383) is 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide is CN(C)c1ncccc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide?
The InChIKey is JEPJFGMYFXBFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(2)12-10(5-4-8-14-12)9-15-11(17)6-3-7-13/h4-5,8H,3,6-7,9,13H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide?
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide has a molecular weight of 236.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119850383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).