(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide

C13H18N2O — CID 86824305

IUPAC(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1cccc(C)n1
InChIInChI=1S/C13H18N2O/c1-4-6-10(2)13(16)14-9-12-8-5-7-11(3)15-12/h5-8H,4,9H2,1-3H3,(H,14,16)/b10-6-
InChIKeyGYNHCGQZERQKHX-POHAHGRESA-N
MW218.30 g/mol
LogP2.36
Rot. Bonds4

About (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide

(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide (PubChem CID 86824305) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
PubChem CID86824305
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1cccc(C)n1
InChIInChI=1S/C13H18N2O/c1-4-6-10(2)13(16)14-9-12-8-5-7-11(3)15-12/h5-8H,4,9H2,1-3H3,(H,14,16)/b10-6-
InChIKeyGYNHCGQZERQKHX-POHAHGRESA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
methyl (E)-2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]but-2-enoate
CID 103247844
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
CID 62323721
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
CID 60553199
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide (CID 86824305) is (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide is CC/C=C(/C)C(=O)NCc1cccc(C)n1.
What is the InChIKey of (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide?
The InChIKey is GYNHCGQZERQKHX-POHAHGRESA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-6-10(2)13(16)14-9-12-8-5-7-11(3)15-12/h5-8H,4,9H2,1-3H3,(H,14,16)/b10-6-.
What are the key properties of (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide?
(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide is sourced from PubChem (CID 86824305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).