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

C13H21N3O — CID 112741868

IUPAC2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1c(C)ccnc1C
InChIInChI=1S/C13H21N3O/c1-4-5-11(8-14)13(17)16-12-9(2)6-7-15-10(12)3/h6-7,11H,4-5,8,14H2,1-3H3,(H,16,17)
InChIKeyIPRQWCDOBVNFRT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds5

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

2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide (PubChem CID 112741868) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
PubChem CID112741868
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1c(C)ccnc1C
InChIInChI=1S/C13H21N3O/c1-4-5-11(8-14)13(17)16-12-9(2)6-7-15-10(12)3/h6-7,11H,4-5,8,14H2,1-3H3,(H,16,17)
InChIKeyIPRQWCDOBVNFRT-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564259
ethyl N-[4-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65225386
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 116786550
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 65225533
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide
CID 114387208

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide (CID 112741868) is 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide is CCCC(CN)C(=O)Nc1c(C)ccnc1C.
What is the InChIKey of 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide?
The InChIKey is IPRQWCDOBVNFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-11(8-14)13(17)16-12-9(2)6-7-15-10(12)3/h6-7,11H,4-5,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide?
2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide is sourced from PubChem (CID 112741868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).