3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide

C15H25N3O — CID 114700340

IUPAC3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
SMILESCc1cnccc1CNC(=O)CC(CN)CC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)6-13(8-16)7-15(19)18-10-14-4-5-17-9-12(14)3/h4-5,9,11,13H,6-8,10,16H2,1-3H3,(H,18,19)
InChIKeyAHUUPYDHKWYKQE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.02
Rot. Bonds7

About 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide

3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide (PubChem CID 114700340) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
PubChem CID114700340
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
SMILESCc1cnccc1CNC(=O)CC(CN)CC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)6-13(8-16)7-15(19)18-10-14-4-5-17-9-12(14)3/h4-5,9,11,13H,6-8,10,16H2,1-3H3,(H,18,19)
InChIKeyAHUUPYDHKWYKQE-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
CID 112669544
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
CID 107594988
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide (CID 114700340) is 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide is Cc1cnccc1CNC(=O)CC(CN)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The InChIKey is AHUUPYDHKWYKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)6-13(8-16)7-15(19)18-10-14-4-5-17-9-12(14)3/h4-5,9,11,13H,6-8,10,16H2,1-3H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide has a molecular weight of 263.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 114700340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).