2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide

C15H25N3O2 — CID 107471465

IUPAC2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
SMILESCCn1cc(NC(=O)C(CN)CC(C)(C)C)ccc1=O
InChIInChI=1S/C15H25N3O2/c1-5-18-10-12(6-7-13(18)19)17-14(20)11(9-16)8-15(2,3)4/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,17,20)
InChIKeyWRVYZTQVNNSWCT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.82
Rot. Bonds5

About 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide (PubChem CID 107471465) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
PubChem CID107471465
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
SMILESCCn1cc(NC(=O)C(CN)CC(C)(C)C)ccc1=O
InChIInChI=1S/C15H25N3O2/c1-5-18-10-12(6-7-13(18)19)17-14(20)11(9-16)8-15(2,3)4/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,17,20)
InChIKeyWRVYZTQVNNSWCT-UHFFFAOYSA-N
XLogP1.82
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
CID 61172675
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
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
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide (CID 107471465) is 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide is CCn1cc(NC(=O)C(CN)CC(C)(C)C)ccc1=O.
What is the InChIKey of 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide?
The InChIKey is WRVYZTQVNNSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18-10-12(6-7-13(18)19)17-14(20)11(9-16)8-15(2,3)4/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide has a molecular weight of 279.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).