2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide

C14H23N3O2 — CID 65230096

IUPAC2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)C(CN)C(C)C)ccc1=O
InChIInChI=1S/C14H23N3O2/c1-4-7-17-9-11(5-6-13(17)18)16-14(19)12(8-15)10(2)3/h5-6,9-10,12H,4,7-8,15H2,1-3H3,(H,16,19)
InChIKeyAVABQGUVOYUGBU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.43
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide

2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (PubChem CID 65230096) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
PubChem CID65230096
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)C(CN)C(C)C)ccc1=O
InChIInChI=1S/C14H23N3O2/c1-4-7-17-9-11(5-6-13(17)18)16-14(19)12(8-15)10(2)3/h5-6,9-10,12H,4,7-8,15H2,1-3H3,(H,16,19)
InChIKeyAVABQGUVOYUGBU-UHFFFAOYSA-N
XLogP1.43
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2-amino-4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)pentanamide
CID 54862542
2-amino-4-methoxy-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 62473033
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822347
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822348
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 115431967
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 113312813
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (CID 65230096) is 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is CCCn1cc(NC(=O)C(CN)C(C)C)ccc1=O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The InChIKey is AVABQGUVOYUGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-7-17-9-11(5-6-13(17)18)16-14(19)12(8-15)10(2)3/h5-6,9-10,12H,4,7-8,15H2,1-3H3,(H,16,19).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide has a molecular weight of 265.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is sourced from PubChem (CID 65230096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).