(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide

C13H18N2O — CID 124618003

IUPAC(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)N(C)c1ccccn1
InChIInChI=1S/C13H18N2O/c1-10(2)9-11(3)13(16)15(4)12-7-5-6-8-14-12/h5-8,11H,1,9H2,2-4H3/t11-/m0/s1
InChIKeyAGDOCZDRCXKJCD-NSHDSACASA-N
MW218.30 g/mol
LogP2.65
Rot. Bonds4

About (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide

(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide (PubChem CID 124618003) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide
PubChem CID124618003
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)N(C)c1ccccn1
InChIInChI=1S/C13H18N2O/c1-10(2)9-11(3)13(16)15(4)12-7-5-6-8-14-12/h5-8,11H,1,9H2,2-4H3/t11-/m0/s1
InChIKeyAGDOCZDRCXKJCD-NSHDSACASA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-pyridin-2-ylpropanamide
CID 79196155
2,2-difluoro-N-methyl-N-pyridin-2-ylacetamide
CID 103515256
2-methoxy-N-methyl-N-pyridin-2-ylpropanamide
CID 115640276
(2R)-2-amino-N-methyl-2-phenyl-N-pyridin-2-ylacetamide
CID 61148028
N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
CID 60852882
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
2-amino-N,2-dimethyl-N-pyridin-2-ylpropanamide
CID 61265385
(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
CID 124593925
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994
3-(cyclopropylamino)-N-methyl-N-pyridin-2-ylpropanamide
CID 60843331

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide?
The IUPAC name of (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide (CID 124618003) is (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide.
What is the SMILES notation for (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide?
The canonical SMILES for (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide is C=C(C)C[C@H](C)C(=O)N(C)c1ccccn1.
What is the InChIKey of (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide?
The InChIKey is AGDOCZDRCXKJCD-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)9-11(3)13(16)15(4)12-7-5-6-8-14-12/h5-8,11H,1,9H2,2-4H3/t11-/m0/s1.
What are the key properties of (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide?
(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide is sourced from PubChem (CID 124618003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).