2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one

C17H28N2O2 — CID 146607017

IUPAC2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one
SMILESCCC(C)C(=O)c1ccc(OC(C)CCNC(C)C)cn1
InChIInChI=1S/C17H28N2O2/c1-6-13(4)17(20)16-8-7-15(11-19-16)21-14(5)9-10-18-12(2)3/h7-8,11-14,18H,6,9-10H2,1-5H3
InChIKeyGXRPIYSXNGFVGT-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.47
Rot. Bonds9

About 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one

2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one (PubChem CID 146607017) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one
PubChem CID146607017
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one
SMILESCCC(C)C(=O)c1ccc(OC(C)CCNC(C)C)cn1
InChIInChI=1S/C17H28N2O2/c1-6-13(4)17(20)16-8-7-15(11-19-16)21-14(5)9-10-18-12(2)3/h7-8,11-14,18H,6,9-10H2,1-5H3
InChIKeyGXRPIYSXNGFVGT-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[3-(propan-2-ylamino)propoxy]-2-pyridinyl]-2-sulfanylpropan-1-one
CID 146526537
methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate
CID 70798097
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 114999658
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
N-hydroxy-5-propan-2-yloxypyridine-2-carboxamide
CID 58126135
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881
N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine
CID 115001598
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one?
The IUPAC name of 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one (CID 146607017) is 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one?
The canonical SMILES for 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one is CCC(C)C(=O)c1ccc(OC(C)CCNC(C)C)cn1.
What is the InChIKey of 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one?
The InChIKey is GXRPIYSXNGFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-13(4)17(20)16-8-7-15(11-19-16)21-14(5)9-10-18-12(2)3/h7-8,11-14,18H,6,9-10H2,1-5H3.
What are the key properties of 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one?
2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one has a molecular weight of 292.42 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one is sourced from PubChem (CID 146607017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).