3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride

C12H20ClN3O2 — CID 119694321

IUPAC3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
SMILESCc1cc(C)c(CNC(=O)CC(C)N)c(=O)[nH]1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-7-4-9(3)15-12(17)10(7)6-14-11(16)5-8(2)13;/h4,8H,5-6,13H2,1-3H3,(H,14,16)(H,15,17);1H
InChIKeyJCSLPDRJMKZVPX-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride

3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride (PubChem CID 119694321) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
PubChem CID119694321
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
SMILESCc1cc(C)c(CNC(=O)CC(C)N)c(=O)[nH]1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-7-4-9(3)15-12(17)10(7)6-14-11(16)5-8(2)13;/h4,8H,5-6,13H2,1-3H3,(H,14,16)(H,15,17);1H
InChIKeyJCSLPDRJMKZVPX-UHFFFAOYSA-N
XLogP0.77
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride
CID 126809337
3-(1-Aminoethyl)pyridin-2-ol hydrochloride
CID 138455106
N-(2-amino-2-oxoethyl)-2-hydroxy-4,6-dimethylnicotinamide
CID 60715860
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride (CID 119694321) is 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride is Cc1cc(C)c(CNC(=O)CC(C)N)c(=O)[nH]1.Cl.
What is the InChIKey of 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride?
The InChIKey is JCSLPDRJMKZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-7-4-9(3)15-12(17)10(7)6-14-11(16)5-8(2)13;/h4,8H,5-6,13H2,1-3H3,(H,14,16)(H,15,17);1H.
What are the key properties of 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride?
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119694321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).