4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide

C11H17N3O — CID 114700223

IUPAC4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
SMILESCc1cnccc1CNC(=O)CCCN
InChIInChI=1S/C11H17N3O/c1-9-7-13-6-4-10(9)8-14-11(15)3-2-5-12/h4,6-7H,2-3,5,8,12H2,1H3,(H,14,15)
InChIKeyISTRIIOZJZLQGB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.75
Rot. Bonds5

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

4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide (PubChem CID 114700223) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
PubChem CID114700223
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
SMILESCc1cnccc1CNC(=O)CCCN
InChIInChI=1S/C11H17N3O/c1-9-7-13-6-4-10(9)8-14-11(15)3-2-5-12/h4,6-7H,2-3,5,8,12H2,1H3,(H,14,15)
InChIKeyISTRIIOZJZLQGB-UHFFFAOYSA-N
XLogP0.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
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)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114701436
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114700232

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide (CID 114700223) is 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide is Cc1cnccc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
The InChIKey is ISTRIIOZJZLQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-13-6-4-10(9)8-14-11(15)3-2-5-12/h4,6-7H,2-3,5,8,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide?
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide has a molecular weight of 207.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 114700223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).