2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C13H21N3O — CID 81409809

IUPAC2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCCC(C)NCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)15-9-13(17)16-11(3)12-5-7-14-8-6-12/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)/t10?,11-/m0/s1
InChIKeyXJIAPJBHSOALIN-DTIOYNMSSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 81409809) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID81409809
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCCC(C)NCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)15-9-13(17)16-11(3)12-5-7-14-8-6-12/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)/t10?,11-/m0/s1
InChIKeyXJIAPJBHSOALIN-DTIOYNMSSA-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-phenylethyl]acetamide
CID 63867528
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 81409809) is 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is CCC(C)NCC(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is XJIAPJBHSOALIN-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10(2)15-9-13(17)16-11(3)12-5-7-14-8-6-12/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)/t10?,11-/m0/s1.
What are the key properties of 2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-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-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 81409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).