N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C15H20N2O2 — CID 97242165

IUPACN-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O
InChIInChI=1S/C15H20N2O2/c1-4-9-17-10-5-6-13(15(17)19)14(18)16(3)11(2)12-7-8-12/h4-6,10-12H,1,7-9H2,2-3H3/t11-/m0/s1
InChIKeyGZWKWVLZRGYHGE-NSHDSACASA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 97242165) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID97242165
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O
InChIInChI=1S/C15H20N2O2/c1-4-9-17-10-5-6-13(15(17)19)14(18)16(3)11(2)12-7-8-12/h4-6,10-12H,1,7-9H2,2-3H3/t11-/m0/s1
InChIKeyGZWKWVLZRGYHGE-NSHDSACASA-N
XLogP1.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 97242165) is N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is GZWKWVLZRGYHGE-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-9-17-10-5-6-13(15(17)19)14(18)16(3)11(2)12-7-8-12/h4-6,10-12H,1,7-9H2,2-3H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 97242165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).