N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

C13H21N3O — CID 81401315

IUPACN-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESCC(C)NC(=O)C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-9(2)15-13(17)11(4)16-10(3)12-7-5-6-8-14-12/h5-11,16H,1-4H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyVUJVOEBGJNTTNL-VUWPPUDQSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds5

About N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (PubChem CID 81401315) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
PubChem CID81401315
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESCC(C)NC(=O)C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-9(2)15-13(17)11(4)16-10(3)12-7-5-6-8-14-12/h5-11,16H,1-4H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyVUJVOEBGJNTTNL-VUWPPUDQSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81407253
N-ethyl-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396710
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81406486
N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 78980119
N-(furan-2-ylmethyl)-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396718
N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401992
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
N'-hydroxy-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanimidamide
CID 81407035
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The IUPAC name of N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (CID 81401315) is N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The canonical SMILES for N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is CC(C)NC(=O)C(C)N[C@@H](C)c1ccccn1.
What is the InChIKey of N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The InChIKey is VUJVOEBGJNTTNL-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)15-13(17)11(4)16-10(3)12-7-5-6-8-14-12/h5-11,16H,1-4H3,(H,15,17)/t10-,11?/m0/s1.
What are the key properties of N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is sourced from PubChem (CID 81401315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).