3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

C12H14N2O2 — CID 81443489

IUPAC3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccncc1O
InChIInChI=1S/C12H14N2O2/c1-3-7-14(8-4-2)12(16)10-5-6-13-9-11(10)15/h3-6,9,15H,1-2,7-8H2
InChIKeyUXSCHGQVXQOKGE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.60
Rot. Bonds5

About 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (PubChem CID 81443489) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
PubChem CID81443489
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccncc1O
InChIInChI=1S/C12H14N2O2/c1-3-7-14(8-4-2)12(16)10-5-6-13-9-11(10)15/h3-6,9,15H,1-2,7-8H2
InChIKeyUXSCHGQVXQOKGE-UHFFFAOYSA-N
XLogP1.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81443513
2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 105380282
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
CID 66482946
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
3-chloro-N-(2-phenylsulfanylethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 46995513
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
tris(3-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-4-carboxamide);iron(3+)
CID 161269738

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (CID 81443489) is 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is C=CCN(CC=C)C(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The InChIKey is UXSCHGQVXQOKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-7-14(8-4-2)12(16)10-5-6-13-9-11(10)15/h3-6,9,15H,1-2,7-8H2.
What are the key properties of 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 81443489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).