N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide

C14H23N3O — CID 119571100

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCCC(CC)(CN)NC(=O)Cc1ccc(C)nc1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,10-15)17-13(18)8-12-7-6-11(3)16-9-12/h6-7,9H,4-5,8,10,15H2,1-3H3,(H,17,18)
InChIKeyYHTHZGYMTIBJIW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.57
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 119571100) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID119571100
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCCC(CC)(CN)NC(=O)Cc1ccc(C)nc1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,10-15)17-13(18)8-12-7-6-11(3)16-9-12/h6-7,9H,4-5,8,10,15H2,1-3H3,(H,17,18)
InChIKeyYHTHZGYMTIBJIW-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119192178
N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107031119
N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119260778
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
2-(6-methyl-3-pyridinyl)-N'-pyrimidin-2-ylacetohydrazide
CID 47338470
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 63886786
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide (CID 119571100) is N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide is CCC(CC)(CN)NC(=O)Cc1ccc(C)nc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is YHTHZGYMTIBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(5-2,10-15)17-13(18)8-12-7-6-11(3)16-9-12/h6-7,9H,4-5,8,10,15H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 119571100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).