(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide

C11H13N3O — CID 165131519

IUPAC(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(C2CC2)cnc1N
InChIInChI=1S/C11H13N3O/c12-10(15)4-3-8-5-9(7-1-2-7)6-14-11(8)13/h3-7H,1-2H2,(H2,12,15)(H2,13,14)/b4-3+
InChIKeyKRBFRYKQHOSLCE-ONEGZZNKSA-N
MW203.24 g/mol
LogP1.04
Rot. Bonds3

About (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide

(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide (PubChem CID 165131519) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide
PubChem CID165131519
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(C2CC2)cnc1N
InChIInChI=1S/C11H13N3O/c12-10(15)4-3-8-5-9(7-1-2-7)6-14-11(8)13/h3-7H,1-2H2,(H2,12,15)(H2,13,14)/b4-3+
InChIKeyKRBFRYKQHOSLCE-ONEGZZNKSA-N
XLogP1.04
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.04
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 (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide (CID 165131519) is (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide is NC(=O)/C=C/c1cc(C2CC2)cnc1N.
What is the InChIKey of (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide?
The InChIKey is KRBFRYKQHOSLCE-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10(15)4-3-8-5-9(7-1-2-7)6-14-11(8)13/h3-7H,1-2H2,(H2,12,15)(H2,13,14)/b4-3+.
What are the key properties of (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide?
(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 165131519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).