5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide

C13H15N3O2 — CID 47460235

IUPAC5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C(N)=O)nc1
InChIInChI=1S/C13H15N3O2/c1-3-7-16(8-4-2)13(18)10-5-6-11(12(14)17)15-9-10/h3-6,9H,1-2,7-8H2,(H2,14,17)
InChIKeyMMTYCMLFEJWEJE-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.99
Rot. Bonds6

About 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide

5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide (PubChem CID 47460235) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
PubChem CID47460235
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C(N)=O)nc1
InChIInChI=1S/C13H15N3O2/c1-3-7-16(8-4-2)13(18)10-5-6-11(12(14)17)15-9-10/h3-6,9H,1-2,7-8H2,(H2,14,17)
InChIKeyMMTYCMLFEJWEJE-UHFFFAOYSA-N
XLogP0.99
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.99
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

6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
5-N-benzyl-5-N-methylpyridine-2,5-dicarboxamide
CID 47460377
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide
CID 69289910
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 84571048
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
CID 104638328

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide (CID 47460235) is 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide is C=CCN(CC=C)C(=O)c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide?
The InChIKey is MMTYCMLFEJWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-7-16(8-4-2)13(18)10-5-6-11(12(14)17)15-9-10/h3-6,9H,1-2,7-8H2,(H2,14,17).
What are the key properties of 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide?
5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 47460235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).