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

C12H22Cl2N4O — CID 119850372

IUPAC3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1cccnc1N(C)C.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9(13)7-11(17)15-8-10-5-4-6-14-12(10)16(2)3;;/h4-6,9H,7-8,13H2,1-3H3,(H,15,17);2*1H
InChIKeyBIFDUGAKFCPFNT-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.34
Rot. Bonds5

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

3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride (PubChem CID 119850372) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
PubChem CID119850372
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1cccnc1N(C)C.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9(13)7-11(17)15-8-10-5-4-6-14-12(10)16(2)3;;/h4-6,9H,7-8,13H2,1-3H3,(H,15,17);2*1H
InChIKeyBIFDUGAKFCPFNT-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride (CID 119850372) is 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCc1cccnc1N(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride?
The InChIKey is BIFDUGAKFCPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-9(13)7-11(17)15-8-10-5-4-6-14-12(10)16(2)3;;/h4-6,9H,7-8,13H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride?
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119850372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).