N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

C13H19N3O — CID 78980119

IUPACN-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESC=CCNC(=O)C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-4-8-15-13(17)11(3)16-10(2)12-7-5-6-9-14-12/h4-7,9-11,16H,1,8H2,2-3H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyHONXKEXFUDPKSI-VUWPPUDQSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds6

About N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (PubChem CID 78980119) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
PubChem CID78980119
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESC=CCNC(=O)C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-4-8-15-13(17)11(3)16-10(2)12-7-5-6-9-14-12/h4-7,9-11,16H,1,8H2,2-3H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyHONXKEXFUDPKSI-VUWPPUDQSA-N
XLogP1.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396710
N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81407253
N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401315
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
(2S)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253742
(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253741
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81406486
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The IUPAC name of N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (CID 78980119) is N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.
What is the SMILES notation for N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The canonical SMILES for N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is C=CCNC(=O)C(C)N[C@@H](C)c1ccccn1.
What is the InChIKey of N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The InChIKey is HONXKEXFUDPKSI-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-8-15-13(17)11(3)16-10(2)12-7-5-6-9-14-12/h4-7,9-11,16H,1,8H2,2-3H3,(H,15,17)/t10-,11?/m0/s1.
What are the key properties of N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is sourced from PubChem (CID 78980119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).