2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

C15H25N3O — CID 107472817

IUPAC2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-11-9-17-6-5-12(11)10-18-14(19)13(8-16)7-15(2,3)4/h5-6,9,13H,7-8,10,16H2,1-4H3,(H,18,19)
InChIKeyBVQDZTFILOLTOU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.02
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (PubChem CID 107472817) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
PubChem CID107472817
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-11-9-17-6-5-12(11)10-18-14(19)13(8-16)7-15(2,3)4/h5-6,9,13H,7-8,10,16H2,1-4H3,(H,18,19)
InChIKeyBVQDZTFILOLTOU-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
ethyl 3,3-dimethyl-2-[(3-methyl-4-pyridinyl)methylcarbamoyl]butanoate
CID 114701619
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
CID 107472326
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (CID 107472817) is 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is Cc1cnccc1CNC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The InChIKey is BVQDZTFILOLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-17-6-5-12(11)10-18-14(19)13(8-16)7-15(2,3)4/h5-6,9,13H,7-8,10,16H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.02, 5 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-[(3-methyl-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 107472817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).