N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

C11H10N4O — CID 43698782

IUPACN-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C11H10N4O/c1-2-11(16)14-9-4-5-10(12-8-9)15-7-3-6-13-15/h2-8H,1H2,(H,14,16)
InChIKeyBMYATKXLIBPNHV-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.39
Rot. Bonds3

About N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 43698782) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID43698782
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C11H10N4O/c1-2-11(16)14-9-4-5-10(12-8-9)15-7-3-6-13-15/h2-8H,1H2,(H,14,16)
InChIKeyBMYATKXLIBPNHV-UHFFFAOYSA-N
XLogP1.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (CID 43698782) is N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is C=CC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is BMYATKXLIBPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-2-11(16)14-9-4-5-10(12-8-9)15-7-3-6-13-15/h2-8H,1H2,(H,14,16).
What are the key properties of N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 214.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 43698782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).