3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide

C14H17N3O2 — CID 154802434

IUPAC3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide
SMILESC=CC(=O)NCCC(=O)N[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-2-13(18)16-7-5-14(19)17-12-8-11(12)10-4-3-6-15-9-10/h2-4,6,9,11-12H,1,5,7-8H2,(H,16,18)(H,17,19)/t11-,12+/m1/s1
InChIKeyFOAVKTJFXTXYIX-NEPJUHHUSA-N
MW259.31 g/mol
LogP0.75
Rot. Bonds6

About 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide

3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide (PubChem CID 154802434) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide.

Molecular Properties

Compound Name3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide
PubChem CID154802434
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide
SMILESC=CC(=O)NCCC(=O)N[C@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-2-13(18)16-7-5-14(19)17-12-8-11(12)10-4-3-6-15-9-10/h2-4,6,9,11-12H,1,5,7-8H2,(H,16,18)(H,17,19)/t11-,12+/m1/s1
InChIKeyFOAVKTJFXTXYIX-NEPJUHHUSA-N
XLogP0.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide?
The IUPAC name of 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide (CID 154802434) is 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide.
What is the SMILES notation for 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide?
The canonical SMILES for 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide is C=CC(=O)NCCC(=O)N[C@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide?
The InChIKey is FOAVKTJFXTXYIX-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-13(18)16-7-5-14(19)17-12-8-11(12)10-4-3-6-15-9-10/h2-4,6,9,11-12H,1,5,7-8H2,(H,16,18)(H,17,19)/t11-,12+/m1/s1.
What are the key properties of 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide?
3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoylamino)-N-[(1S,2R)-2-pyridin-3-ylcyclopropyl]propanamide is sourced from PubChem (CID 154802434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).