1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone

C16H26N2O — CID 114055594

IUPAC1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
SMILESCCC(CC)N(CC(C)C)c1ncccc1C(C)=O
InChIInChI=1S/C16H26N2O/c1-6-14(7-2)18(11-12(3)4)16-15(13(5)19)9-8-10-17-16/h8-10,12,14H,6-7,11H2,1-5H3
InChIKeyUNJFRAPYSBAHTB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.94
Rot. Bonds7

About 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone

1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone (PubChem CID 114055594) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
PubChem CID114055594
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
SMILESCCC(CC)N(CC(C)C)c1ncccc1C(C)=O
InChIInChI=1S/C16H26N2O/c1-6-14(7-2)18(11-12(3)4)16-15(13(5)19)9-8-10-17-16/h8-10,12,14H,6-7,11H2,1-5H3
InChIKeyUNJFRAPYSBAHTB-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone
CID 79483626
3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79484086
2-[2-methylpropyl(pentan-3-yl)amino]benzoic acid
CID 79483064
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
CID 54926120
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895
3-[2-methylpropyl(pentan-3-yl)amino]pyrazine-2-carbonitrile
CID 79491028
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide
CID 123528084

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone (CID 114055594) is 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone is CCC(CC)N(CC(C)C)c1ncccc1C(C)=O.
What is the InChIKey of 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone?
The InChIKey is UNJFRAPYSBAHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-14(7-2)18(11-12(3)4)16-15(13(5)19)9-8-10-17-16/h8-10,12,14H,6-7,11H2,1-5H3.
What are the key properties of 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone?
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 114055594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).