3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid

C10H12N2O2 — CID 67215559

IUPAC3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid
SMILESCCNc1cccnc1C=CC(=O)O
InChIInChI=1S/C10H12N2O2/c1-2-11-8-4-3-7-12-9(8)5-6-10(13)14/h3-7,11H,2H2,1H3,(H,13,14)
InChIKeyQYCKIYDDOMRQND-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.61
Rot. Bonds4

About 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid

3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid (PubChem CID 67215559) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid
PubChem CID67215559
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid
SMILESCCNc1cccnc1C=CC(=O)O
InChIInChI=1S/C10H12N2O2/c1-2-11-8-4-3-7-12-9(8)5-6-10(13)14/h3-7,11H,2H2,1H3,(H,13,14)
InChIKeyQYCKIYDDOMRQND-UHFFFAOYSA-N
XLogP1.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.61
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-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid (CID 67215559) is 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid is CCNc1cccnc1C=CC(=O)O.
What is the InChIKey of 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is QYCKIYDDOMRQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-11-8-4-3-7-12-9(8)5-6-10(13)14/h3-7,11H,2H2,1H3,(H,13,14).
What are the key properties of 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid?
3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 192.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 67215559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).