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

C13H16N2O2 — CID 84580497

IUPAC2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccnc(OC)c1
InChIInChI=1S/C13H16N2O2/c1-4-8-15(9-5-2)13(16)11-6-7-14-12(10-11)17-3/h4-7,10H,1-2,8-9H2,3H3
InChIKeyHTOUMUYOQNJSHR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.90
Rot. Bonds6

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

2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (PubChem CID 84580497) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
PubChem CID84580497
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccnc(OC)c1
InChIInChI=1S/C13H16N2O2/c1-4-8-15(9-5-2)13(16)11-6-7-14-12(10-11)17-3/h4-7,10H,1-2,8-9H2,3H3
InChIKeyHTOUMUYOQNJSHR-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 60580963
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (CID 84580497) is 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is C=CCN(CC=C)C(=O)c1ccnc(OC)c1.
What is the InChIKey of 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The InChIKey is HTOUMUYOQNJSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-8-15(9-5-2)13(16)11-6-7-14-12(10-11)17-3/h4-7,10H,1-2,8-9H2,3H3.
What are the key properties of 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 84580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).