2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide

C14H23N3O2 — CID 107471479

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
SMILESCn1cc(NC(=O)C(CN)CC(C)(C)C)ccc1=O
InChIInChI=1S/C14H23N3O2/c1-14(2,3)7-10(8-15)13(19)16-11-5-6-12(18)17(4)9-11/h5-6,9-10H,7-8,15H2,1-4H3,(H,16,19)
InChIKeyWAJPOORKXWMYNJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.33
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide (PubChem CID 107471479) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
PubChem CID107471479
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
SMILESCn1cc(NC(=O)C(CN)CC(C)(C)C)ccc1=O
InChIInChI=1S/C14H23N3O2/c1-14(2,3)7-10(8-15)13(19)16-11-5-6-12(18)17(4)9-11/h5-6,9-10H,7-8,15H2,1-4H3,(H,16,19)
InChIKeyWAJPOORKXWMYNJ-UHFFFAOYSA-N
XLogP1.33
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 79024286
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
CID 119723799
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide (CID 107471479) is 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide is Cn1cc(NC(=O)C(CN)CC(C)(C)C)ccc1=O.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide?
The InChIKey is WAJPOORKXWMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)7-10(8-15)13(19)16-11-5-6-12(18)17(4)9-11/h5-6,9-10H,7-8,15H2,1-4H3,(H,16,19).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide has a molecular weight of 265.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide is sourced from PubChem (CID 107471479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).