1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone

C14H20N2O2 — CID 114055612

IUPAC1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N(CCCO)C1CCC1
InChIInChI=1S/C14H20N2O2/c1-11(18)13-7-3-8-15-14(13)16(9-4-10-17)12-5-2-6-12/h3,7-8,12,17H,2,4-6,9-10H2,1H3
InChIKeySIKBSFMNWIAILX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone

1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone (PubChem CID 114055612) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
PubChem CID114055612
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N(CCCO)C1CCC1
InChIInChI=1S/C14H20N2O2/c1-11(18)13-7-3-8-15-14(13)16(9-4-10-17)12-5-2-6-12/h3,7-8,12,17H,2,4-6,9-10H2,1H3
InChIKeySIKBSFMNWIAILX-UHFFFAOYSA-N
XLogP2.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
CID 21451098
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
CID 114055510
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
CID 61232537
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
CID 102868566
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone (CID 114055612) is 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone is CC(=O)c1cccnc1N(CCCO)C1CCC1.
What is the InChIKey of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone?
The InChIKey is SIKBSFMNWIAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(18)13-7-3-8-15-14(13)16(9-4-10-17)12-5-2-6-12/h3,7-8,12,17H,2,4-6,9-10H2,1H3.
What are the key properties of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone?
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 114055612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).