6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide

C14H23N3O — CID 114700307

IUPAC6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
SMILESCc1cnccc1CNC(=O)CCC(C)CCN
InChIInChI=1S/C14H23N3O/c1-11(5-7-15)3-4-14(18)17-10-13-6-8-16-9-12(13)2/h6,8-9,11H,3-5,7,10,15H2,1-2H3,(H,17,18)
InChIKeyWKQWOSCAKRBEHP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.77
Rot. Bonds7

About 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide

6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide (PubChem CID 114700307) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
PubChem CID114700307
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
SMILESCc1cnccc1CNC(=O)CCC(C)CCN
InChIInChI=1S/C14H23N3O/c1-11(5-7-15)3-4-14(18)17-10-13-6-8-16-9-12(13)2/h6,8-9,11H,3-5,7,10,15H2,1-2H3,(H,17,18)
InChIKeyWKQWOSCAKRBEHP-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
CID 106899790
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The IUPAC name of 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide (CID 114700307) is 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The canonical SMILES for 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide is Cc1cnccc1CNC(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The InChIKey is WKQWOSCAKRBEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(5-7-15)3-4-14(18)17-10-13-6-8-16-9-12(13)2/h6,8-9,11H,3-5,7,10,15H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide has a molecular weight of 249.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 114700307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).