2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide

C14H23N3O — CID 107472380

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
SMILESCc1cc(NC(=O)C(CN)CC(C)(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-10-7-12(5-6-16-10)17-13(18)11(9-15)8-14(2,3)4/h5-7,11H,8-9,15H2,1-4H3,(H,16,17,18)
InChIKeyQLKYWFXOHHARGM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.34
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide (PubChem CID 107472380) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
PubChem CID107472380
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
SMILESCc1cc(NC(=O)C(CN)CC(C)(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-10-7-12(5-6-16-10)17-13(18)11(9-15)8-14(2,3)4/h5-7,11H,8-9,15H2,1-4H3,(H,16,17,18)
InChIKeyQLKYWFXOHHARGM-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
CID 81079755
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 79240943
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide (CID 107472380) is 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide is Cc1cc(NC(=O)C(CN)CC(C)(C)C)ccn1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide?
The InChIKey is QLKYWFXOHHARGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-12(5-6-16-10)17-13(18)11(9-15)8-14(2,3)4/h5-7,11H,8-9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide has a molecular weight of 249.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide is sourced from PubChem (CID 107472380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).