N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide

C14H19N3O2 — CID 126832207

IUPACN'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide
SMILESC=C(C)CN(CC)C(=O)C(=O)Nc1ccncc1C
InChIInChI=1S/C14H19N3O2/c1-5-17(9-10(2)3)14(19)13(18)16-12-6-7-15-8-11(12)4/h6-8H,2,5,9H2,1,3-4H3,(H,15,16,18)
InChIKeyRSFWIXJTMCPRND-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.75
Rot. Bonds4

About N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide

N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide (PubChem CID 126832207) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide
PubChem CID126832207
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide
SMILESC=C(C)CN(CC)C(=O)C(=O)Nc1ccncc1C
InChIInChI=1S/C14H19N3O2/c1-5-17(9-10(2)3)14(19)13(18)16-12-6-7-15-8-11(12)4/h6-8H,2,5,9H2,1,3-4H3,(H,15,16,18)
InChIKeyRSFWIXJTMCPRND-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide
CID 99699558
N'-ethyl-N-(2-methoxyphenyl)-N'-(2-methylprop-2-enyl)oxamide
CID 91650552
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea
CID 146127944
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide
CID 63671885
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea
CID 99823986
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide?
The IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide (CID 126832207) is N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide is C=C(C)CN(CC)C(=O)C(=O)Nc1ccncc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide?
The InChIKey is RSFWIXJTMCPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-17(9-10(2)3)14(19)13(18)16-12-6-7-15-8-11(12)4/h6-8H,2,5,9H2,1,3-4H3,(H,15,16,18).
What are the key properties of N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide?
N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide has a molecular weight of 261.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide is sourced from PubChem (CID 126832207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).