4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide

C12H18N2O — CID 143623423

IUPAC4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide
SMILESCCC/C=C/NC(=O)C1=NCCC(C)=C1
InChIInChI=1S/C12H18N2O/c1-3-4-5-7-14-12(15)11-9-10(2)6-8-13-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15)/b7-5+
InChIKeyMGSABAKOJBMDAH-FNORWQNLSA-N
MW206.29 g/mol
LogP2.21
Rot. Bonds4

About 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide

4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide (PubChem CID 143623423) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide
PubChem CID143623423
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide
SMILESCCC/C=C/NC(=O)C1=NCCC(C)=C1
InChIInChI=1S/C12H18N2O/c1-3-4-5-7-14-12(15)11-9-10(2)6-8-13-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15)/b7-5+
InChIKeyMGSABAKOJBMDAH-FNORWQNLSA-N
XLogP2.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide (CID 143623423) is 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide is CCC/C=C/NC(=O)C1=NCCC(C)=C1.
What is the InChIKey of 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide?
The InChIKey is MGSABAKOJBMDAH-FNORWQNLSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-5-7-14-12(15)11-9-10(2)6-8-13-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15)/b7-5+.
What are the key properties of 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide?
4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-pent-1-enyl]-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 143623423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).