(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide

C17H26N2O2 — CID 167108291

IUPAC(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide
SMILESCc1cc(C)c(CNC(=O)/C=C/C(C)(C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H26N2O2/c1-11(2)17(5,6)8-7-15(20)18-10-14-12(3)9-13(4)19-16(14)21/h7-9,11H,10H2,1-6H3,(H,18,20)(H,19,21)/b8-7+
InChIKeyKUTQUSWHWIRRMC-BQYQJAHWSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds5

About (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide

(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide (PubChem CID 167108291) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide
PubChem CID167108291
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide
SMILESCc1cc(C)c(CNC(=O)/C=C/C(C)(C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H26N2O2/c1-11(2)17(5,6)8-7-15(20)18-10-14-12(3)9-13(4)19-16(14)21/h7-9,11H,10H2,1-6H3,(H,18,20)(H,19,21)/b8-7+
InChIKeyKUTQUSWHWIRRMC-BQYQJAHWSA-N
XLogP2.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 126605003
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 51109177
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136
tert-butyl N-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-oxo-1-phenylbutyl]carbamate
CID 86891375
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597559

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide?
The IUPAC name of (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide (CID 167108291) is (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide.
What is the SMILES notation for (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide?
The canonical SMILES for (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide is Cc1cc(C)c(CNC(=O)/C=C/C(C)(C)C(C)C)c(=O)[nH]1.
What is the InChIKey of (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide?
The InChIKey is KUTQUSWHWIRRMC-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)17(5,6)8-7-15(20)18-10-14-12(3)9-13(4)19-16(14)21/h7-9,11H,10H2,1-6H3,(H,18,20)(H,19,21)/b8-7+.
What are the key properties of (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide?
(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide is sourced from PubChem (CID 167108291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).