6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide

C20H24N4O2 — CID 133334436

IUPAC6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N(C)CC(=O)Nc2c(C)cccc2C)nc1
InChIInChI=1S/C20H24N4O2/c1-5-11-21-20(26)16-9-10-17(22-12-16)24(4)13-18(25)23-19-14(2)7-6-8-15(19)3/h5-10,12H,1,11,13H2,2-4H3,(H,21,26)(H,23,25)
InChIKeyGQBAJJBLTPRNAH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.69
Rot. Bonds7

About 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide

6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133334436) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133334436
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N(C)CC(=O)Nc2c(C)cccc2C)nc1
InChIInChI=1S/C20H24N4O2/c1-5-11-21-20(26)16-9-10-17(22-12-16)24(4)13-18(25)23-19-14(2)7-6-8-15(19)3/h5-10,12H,1,11,13H2,2-4H3,(H,21,26)(H,23,25)
InChIKeyGQBAJJBLTPRNAH-UHFFFAOYSA-N
XLogP2.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 133334436) is 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N(C)CC(=O)Nc2c(C)cccc2C)nc1.
What is the InChIKey of 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is GQBAJJBLTPRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-5-11-21-20(26)16-9-10-17(22-12-16)24(4)13-18(25)23-19-14(2)7-6-8-15(19)3/h5-10,12H,1,11,13H2,2-4H3,(H,21,26)(H,23,25).
What are the key properties of 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133334436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).