2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide

C13H21N3O — CID 60854286

IUPAC2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCCC(C)NCC(=O)NC(C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)15-9-13(17)16-11(3)12-6-5-7-14-8-12/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyVFLQUHYJHZOWJI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds6

About 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide

2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 60854286) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID60854286
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCCC(C)NCC(=O)NC(C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)15-9-13(17)16-11(3)12-6-5-7-14-8-12/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyVFLQUHYJHZOWJI-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide (CID 60854286) is 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide is CCC(C)NCC(=O)NC(C)c1cccnc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is VFLQUHYJHZOWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10(2)15-9-13(17)16-11(3)12-6-5-7-14-8-12/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide?
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 60854286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).